anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@H]1[C@@H]2CC=C3[C@@H]4CC[C@@H]([C@]4(CC[C@@H]3[C@]2(C[C@H]([C@@H]1O)O)C)C)[C@@H](CCC(=C)C(C)C)CO is a 3beta-hydroxy steroid that is 4-methylergosta-7,24(28)-dien-3-ol substituted by additional hydroxy groups at positions 2 and 21 (the 2alpha,3beta,4alpha,5alpha stereoisomer). It has been isolated from the roots of Breynia fruticosa and exhibits cytotoxic activity against human cancer cell lines. It has a role as an antineoplastic agent and a plant metabolite. It is a 3beta-hydroxy steroid, a 21-hydroxy steroid and a triol.
The molecule C(CCN)C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N is a tripeptide composed of one L-lysine and two L-glutamic acid units joined by peptide linkages. It derives from a L-lysine and a L-glutamic acid.
The molecule Cc1c(Cl)c(O)c(C=O)c2Oc3cc4OC(C)(C)CC(=O)c4c(C)c3OC(=O)c12 Cc1c(Cl)c(O)c(C=O)c2Oc3cc4OC(C)(C)CC(=O)c4c(C)c3OC(=O)c12 is A  member of the class of depsidones that is  3,4-dihydro-2H,7H-chromeno[7,6-b][1,4]benzodioxepine substituted by a chloro group at position 9, a hydroxy group at position 10, methyl groups at positions 2, 2, 5 and 8, a formyl group at position 11 and oxo groups at positions 4 and 7. Isolated from Chaetomium brasiliense it exhibits antimalarial and cytotoxic activities. It has the role of antineoplastic agent . It has the role of antimalarial . It has the role of Chaetomium metabolite . It is also related to or classified as aldehyde  . It is also related to or classified as phenols  . It is also related to or classified as organochlorine compound  . It is also related to or classified as organic heterotetracyclic compound , depsidones .
The molecule [H][C@]12[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]1(O)C(=O)[C@@]1(C)OC(C)(C)[C@@]3([H])C=C[C@@H](OC(C)=O)[C@@](COC(C)=O)([C@@H]2OC(C)=O)[C@]13[H] [H][C@]12[C@@H](OC(=O)c3ccccc3)[C@@H](C)C[C@]1(O)C(=O)[C@@]1(C)OC(C)(C)[C@@]3([H])C=C[C@@H](OC(C)=O)[C@@](COC(C)=O)([C@@H]2OC(C)=O)[C@]13[H] is A tetracyclic diterpenoid isolated from the whole plant of Euphorbia decipiens and exhibits inhibitory activity against prolyl endopeptidase (EC 3.4.21.26). It has the role of metabolite . It has the role of EC 3.4.21.26 (prolyl oligopeptidase) inhibitor . It is also related to or classified as tertiary alpha-hydroxy ketone  .    It is also related to or classified as acetate ester  . It is also related to or classified as benzoate ester , cyclic ether , cyclic ketone , tetracyclic diterpenoid .
The molecule C[C@H](CC1=CC=C(C=C1)OC)[NH2+]C[C@@H](C2=CC(=C(C=C2)O)NC=O)O is an ammonium ion resulting from the protonation of the non-formylated amino group of arformoterol. It is an ammonium ion derivative and an organic cation. It is a conjugate acid of an arformoterol. It is an enantiomer of a (S,S)-formoterol(1+).
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H]([C@@H](CCCCCCCCCCCCCCCC)O)O is a ceramide that is the N-hexacosanoyl derivative of C20 phytosphingosine. It is a C20 phytoceramide and a N-(very-long-chain fatty acyl)-sphingoid base.
The molecule COc1cc2Oc3c(C=O)c(O)cc(C)c3C(=O)Oc2c(C)c1C(=O)C=C(C)C COc1cc2Oc3c(C=O)c(O)cc(C)c3C(=O)Oc2c(C)c1C(=O)C=C(C)C is A member of the class of depsidones that is 11H-dibenzo[b,e][1,4]dioxepine substituted by a hydroxy group at position 3, a methoxy group at position 7, methyl groups at positions 1 and 9, a 3-methylbut-2-enoyl group at position 8, a formyl group at position 4 and an oxo group at position 11. Isolated from Chaetomium brasiliense, it exhibits antimalarial and cytotoxic activities. It has the role of antineoplastic agent . It has the role of antimalarial . It has the role of Chaetomium metabolite . It is also related to or classified as aldehyde  .  It is also related to or classified as phenols  .  It is also related to or classified as enone  . It is also related to or classified as organic heterotricyclic compound , aromatic ether , depsidones , aromatic ketone .
The molecule CC(=O)N1[C@H]([C@H]([C@@H]1CO)C2=CC=CC=C2)CN(C)S(=O)(=O)C3=CC=CC=C3 CC(=O)N1[C@H]([C@H]([C@@H]1CO)C2=CC=CC=C2)CN(C)S(=O)(=O)C3=CC=CC=C3 is N-[[(2R,3R,4R)-1-acetyl-4-(hydroxymethyl)-3-phenyl-2-azetidinyl]methyl]-N-methylbenzenesulfonamide. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule [C]#N [C]#N is cyanyl. Its functional parent is hydrogen cyanide . It is also related to or classified as organic radical .
The molecule C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)CC3=CC=CC=C3 C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[C@H](C)CO)C)CN(C)CC3=CC=CC=C3 is 4,4,4-trifluoro-N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [H][C@]12[C@@H](OC(C)=O)[C@@H](C)C[C@]1(OC(C)=O)[C@]1(O)OC[C@]3([C@H](OC(C)=O)C=C[C@H](C(C)=C)[C@@]3([H])[C@]1(C)O)[C@@H]2OC(=O)c1cccnc1 [H][C@]12[C@@H](OC(C)=O)[C@@H](C)C[C@]1(OC(C)=O)[C@]1(O)OC[C@]3([C@H](OC(C)=O)C=C[C@H](C(C)=C)[C@@]3([H])[C@]1(C)O)[C@@H]2OC(=O)c1cccnc1 is A tetracyclic diterpenoid isolated from the whole plant of Euphorbia decipiens and exhibits inhibitory activity against urease. It has the role of metabolite . It has the role of EC 3.5.1.5 (urease) inhibitor . Its functional parent is nicotinic acid .   It is also related to or classified as lactol  . It is also related to or classified as acetate ester  . It is also related to or classified as bridged compound , cyclic ether , tetracyclic diterpenoid .
The molecule CC1=C[C@@H]2[C@H](CCC(=C2CC1)C)C(C)C is a member of the cadinene family of sesquiterpenes in which the double bonds are located at the 4-4a and 7-8 positions, and in which the isopropyl group at position 1 is cis to the hydrogen at the adjacent bridgehead carbon (the 1R,8aS-enantiomer). It is a cadinene and a delta-cadinene. It is an enantiomer of a (+)-delta-cadinene.
The molecule C1C[C@@H]2CN(C(=O)C3=CC=CC(=C23)C1)[C@@H]4CN5CCC4CC5.Cl is a hydrochloride obtained by combining palonosetron with one molar equivalent of hydrogen chloride; an antiemetic used in combination with netupitant (under the trade name Akynzeo) to treat nausea and vomiting in patients undergoing cancer chemotherapy. It has a role as an antiemetic and a serotonergic antagonist. It contains a palonosetron(1+).
The molecule CCCN(C)C[C@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C)O[C@H](CCCCO1)C)[C@@H](C)CO)C CCCN(C)C[C@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NS(=O)(=O)C)O[C@H](CCCCO1)C)[C@@H](C)CO)C is N-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(C)=CC(=O)c1c(O)cc2Oc3c(C=O)c(O)cc(C)c3C(=O)Oc2c1C CC(C)=CC(=O)c1c(O)cc2Oc3c(C=O)c(O)cc(C)c3C(=O)Oc2c1C is A member of the class of depsidones that is 11H-dibenzo[b,e][1,4]dioxepine substituted by hydroxy groups at positions 3 and 7, methyl groups at positions 1 and 9, a 3-methylbut-2-enoyl group at position 8, a formyl group at position 4 and an oxo group at position 11. Isolated from Chaetomium brasiliense, it exhibits antimalarial, antimycobacterial and cytotoxic activities. It has the role of antineoplastic agent . It has the role of antimalarial . It has the role of antimycobacterial drug . It has the role of Chaetomium metabolite . It is also related to or classified as aldehyde  .   It is also related to or classified as enone  . It is also related to or classified as polyphenol , organic heterotricyclic compound , depsidones , aromatic ketone .
The molecule C1COCCC1CN2[C@@H]([C@H](C23CN(C3)S(=O)(=O)CC4=CC=CC=C4)C5=CC=CC=C5)CO C1COCCC1CN2[C@@H]([C@H](C23CN(C3)S(=O)(=O)CC4=CC=CC=C4)C5=CC=CC=C5)CO is [(2S,3R)-1-(4-oxanylmethyl)-3-phenyl-6-(phenylmethyl)sulfonyl-1,6-diazaspiro[3.3]heptan-2-yl]methanol. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C1=CC(=C(C=C1C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)O is a glycosyloxyflavone that is 6-hydroxyluteolin attached to a beta-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. Isolated from Globularia cordifolia and Globularia alypum, it exhibits antioxidant activity. It has a role as a metabolite and an antioxidant. It is a disaccharide derivative, a tetrahydroxyflavone and a glycosyloxyflavone. It derives from a luteolin.
The molecule [H][C@]12[C@@H](OC(=O)CCC)[C@@H](C)C[C@]1(OC(C)=O)[C@]1(O)OC[C@]3([C@H](OC(C)=O)C=C[C@H](C(C)=C)[C@@]3([H])[C@]1(C)O)[C@@H]2OC(=O)c1ccccc1 [H][C@]12[C@@H](OC(=O)CCC)[C@@H](C)C[C@]1(OC(C)=O)[C@]1(O)OC[C@]3([C@H](OC(C)=O)C=C[C@H](C(C)=C)[C@@]3([H])[C@]1(C)O)[C@@H]2OC(=O)c1ccccc1 is A tetracyclic diterpenoid isolated from the whole plant of Euphorbia decipiens and exhibits inhibitory activity against prolyl endopeptidase (EC 3.4.21.26). It has the role of metabolite . It has the role of EC 3.4.21.26 (prolyl oligopeptidase) inhibitor .    It is also related to or classified as lactol  . It is also related to or classified as acetate ester  . It is also related to or classified as butyrate ester  . It is also related to or classified as bridged compound , benzoate ester , cyclic ether , tetracyclic diterpenoid .
The molecule C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O is a member of the class of triazoles that is propan-2-ol substituted at position 1 and 3 by 1H-1,2,4-triazol-1-yl groups and at position 2 by a 2,4-difluorophenyl group. It is an antifungal drug used for the treatment of mucosal candidiasis and for systemic infections including systemic candidiasis, coccidioidomycosis, and cryptococcosis. It has a role as a P450 inhibitor, an environmental contaminant and a xenobiotic. It is a difluorobenzene, a conazole antifungal drug, a triazole antifungal drug and a tertiary alcohol. It derives from a 1,3-difluorobenzene. It derives from a hydride of a 1H-1,2,4-triazole.
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O)O)O)O)O is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#14. It derives from an oscr#14. It is a conjugate acid of an oscr#14-CoA(4-).
The molecule CC(C)=CCc1c(O)cc2Oc3c(C=O)c(O)c(Cl)c(C)c3C(=O)Oc2c1C CC(C)=CCc1c(O)cc2Oc3c(C=O)c(O)c(Cl)c(C)c3C(=O)Oc2c1C is A member of the class of depsidones that is 11H-dibenzo[b,e][1,4]dioxepine substituted by a chloro group at position 2, hydroxy groups at position 3 and 7, methyl group at positions 1 and 9, a prenyl group at position 8, an oxo group at position 11 and a formyl group at position 4. Isolated from Chaetomium brasiliense it exhibits cytotoxic activity. It has the role of antineoplastic agent . It has the role of antimalarial . It is also related to or classified as aldehyde  .   It is also related to or classified as organochlorine compound  . It is also related to or classified as polyphenol , organic heterotricyclic compound , depsidones .
The molecule [H][C@@]12C[C@@H](O)\C(C)=C\[C@@]3([H])OC(=O)C(=C)[C@]3([H])[C@@H](C[C@@]1(C)O2)OC(=O)C(\C)=C\C [H][C@@]12C[C@@H](O)\C(C)=C\[C@@]3([H])OC(=O)C(=C)[C@]3([H])[C@@H](C[C@@]1(C)O2)OC(=O)C(\C)=C\C is A sesquiterpene lactone that is a 3alpha-hydroxy epimer of heliangin. Isolated from Eupatorium kiirunense, it exhibits cytotoxicity against human oral epidermoid (KB), cervical epitheloid (Hela) and liver (hepa59T/VGH) carcinoma cells. It has the role of metabolite . It has the role of antineoplastic agent . Its functional parent is tiglic acid . It is also related to or classified as epoxide  .  It is also related to or classified as enoate ester  . It is also related to or classified as sesquiterpene lactone .
The molecule C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)N is tetraanion of P(1),P(4)-bis(5'-adenosyl) tetraphosphate arising from deprotonation of the tetraphosphate OH groups; major species at pH 7.3. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a conjugate base of a P(1),P(4)-bis(5'-adenosyl) tetraphosphate.
The molecule CC(=O)[C@@H]1CN2CC[C@@]34[C@@H]2C[C@@H]1C(=C3NC5=CC=CC=C45)C(=O)OC is an alkaloid, an organic heteropentacyclic compound and a methyl ester. It has a role as a metabolite.
The molecule C=1C(=CC(=C2C1C(=C3C(=C2O)C(C[C@@H](C3)O)=O)O)O)C C=1C(=CC(=C2C1C(=C3C(=C2O)C(C[C@@H](C3)O)=O)O)O)C is A member of the class of anthracenones that is 3,4-dihydroanthracen-1(2H)-one substituted by a methyl group at position 6 and by hydroxy groups at positions 3R, 8, 9 and 10, respectively.  It is also related to or classified as phenols  . It is also related to or classified as secondary alcohol  . It is also related to or classified as anthracenone .
The molecule CC(C)=CCc1c(O)cc2Oc3c(C=O)c(O)cc(C)c3C(=O)Oc2c1C CC(C)=CCc1c(O)cc2Oc3c(C=O)c(O)cc(C)c3C(=O)Oc2c1C is A member of the class of  depsidones that is 11H-dibenzo[b,e][1,4]dioxepine substituted by hydroxy groups at position 3 and 7, methyl group at positions 1 and 9, a prenyl group at position 8, an oxo group at position 11 and a formyl group at position 4. Isolated from  Chaetomium brasiliense it exhibits cytotoxic activity. It has the role of antineoplastic agent . It has the role of Chaetomium metabolite . It is also related to or classified as aldehyde  . It is also related to or classified as polyphenol , organic heterotricyclic compound , depsidones .
The molecule ClC([C@H](O)CC1=CC=2NC=3[C@@]4([C@@]5([C@](O)([C@@]67O[C@@H]6[C@@H]8O[C@H]([C@H]9OC9(C)C)OC([C@H]8O[C@H]7CC5)(C)C)CC[C@H]4CC3C2C=C1)C)C)(C)C ClC([C@H](O)CC1=CC=2NC=3[C@@]4([C@@]5([C@](O)([C@@]67O[C@@H]6[C@@H]8O[C@H]([C@H]9OC9(C)C)OC([C@H]8O[C@H]7CC5)(C)C)CC[C@H]4CC3C2C=C1)C)C)(C)C is Tolypocladin J. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)C(=O)[C@H]2O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)C(=O)[C@H]2O)[C@@H](O)[C@@H]1O is A glycosyl glycoside which is an intermediate in the breakdown of sucrose. The structure is that of sucrose in which the glucosyl 3-hydroxy group has been reduced to a keto group. It is also related to or classified as glycosyl glycoside , keto-disaccharide .
The molecule C1=CC=C2C(=C1)[C@]34CCN5CC6=CCO[C@]7(CC(N2[C@]4([C@]7([C@]6(C[C@@]35[H])[H])[H])[H])=O)[H].C1=CC=C2C(=C1)[C@]34CCN5CC6=CCO[C@]7(CC(N2[C@]4([C@]7([C@]6(C[C@@]35[H])[H])[H])[H])=O)[H].OS(O)(=O)=O C1=CC=C2C(=C1)[C@]34CCN5CC6=CCO[C@]7(CC(N2[C@]4([C@]7([C@]6(C[C@@]35[H])[H])[H])[H])=O)[H].C1=CC=C2C(=C1)[C@]34CCN5CC6=CCO[C@]7(CC(N2[C@]4([C@]7([C@]6(C[C@@]35[H])[H])[H])[H])=O)[H].OS(O)(=O)=O is strychnine sulfate. It has the role of poison . Its functional parent is strychnine . It is also related to or classified as organic molecular entity .
The molecule [H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](C[C@@](C)(O)\C=C\C(=O)\C(C)=C/2)OC(=O)C(\C)=C\C [H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](C[C@@](C)(O)\C=C\C(=O)\C(C)=C/2)OC(=O)C(\C)=C\C is A sesquiterpene lactone of the heliangolide group isolated from Eupatorium kiirunense and exhibits cytotoxicity against human oral epidermoid (KB), cervical epitheloid (Hela) and liver (hepa59T/VGH) carcinoma cells. It has the role of metabolite . It has the role of antineoplastic agent . Its functional parent is tiglic acid .  It is also related to or classified as enone  . It is also related to or classified as enoate ester  . It is also related to or classified as sesquiterpene lactone .
The molecule C(=O)([O-])[O-].[Fe+2] is a carbonate salt in which the counter-ion is iron in the +2 oxidation state. It is a carbonate salt, a one-carbon compound, an iron molecular entity and a carbonate mineral.
The molecule C[C@@]12CCC[C@@]([C@H]1[C@@H]([C@]34[C@H]2CC[C@](C3)(C(=C)C4)O)C=O)(C)C(=O)O is a C20-gibberellin obtained by selective reduction of the 10beta-carboxy group of gibberellin A53. It is a C20-gibberellin and a gibberellin monocarboxylic acid. It derives from a gibberellin A53.
The molecule CN(C)CC#CC1=CC=C(C=C1)[C@@H]2[C@@H]3CN(CCCCN3[C@H]2CO)C(=O)C4CC4 CN(C)CC#CC1=CC=C(C=C1)[C@@H]2[C@@H]3CN(CCCCN3[C@H]2CO)C(=O)C4CC4 is cyclopropyl-[(8R,9R,10R)-9-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule Cc1c(Cl)c(O)c(C=O)c2Oc3c(C)c4C(=O)CC(C)(C)Oc4c(O)c3OC(=O)c12 Cc1c(Cl)c(O)c(C=O)c2Oc3c(C)c4C(=O)CC(C)(C)Oc4c(O)c3OC(=O)c12 is A member of the class of depsidones that is 3,4-dihydro-H,11H-chromeno[6,7-b][1,4]benzodioxepine substituted by a chloro group at position 9, hydroxy groups at positions 8 and 13, methyl groups at positions 2, 2, 5 and 10, oxo groups at positions 4 and 11 and a formyl group at position 7. Isolated from Chaetomium brasiliense, it exhibits cytotoxic activity. It has the role of antineoplastic agent . It has the role of Chaetomium metabolite . It is also related to or classified as aldehyde  .  It is also related to or classified as organochlorine compound  . It is also related to or classified as polyphenol , organic heterotetracyclic compound , depsidones .
The molecule O=C1C2=C(O)C=3C(=CC(O[C@@H]4O[C@@H]([C@H](OC)[C@@H]([C@H]4O)OC)C)=C(C3C)C(=O)OC)C=C2C(=O)[C@@]5([C@@]1(OC)C(=O)C=C(OC)[C@H]5O)O O=C1C2=C(O)C=3C(=CC(O[C@@H]4O[C@@H]([C@H](OC)[C@@H]([C@H]4O)OC)C)=C(C3C)C(=O)OC)C=C2C(=O)[C@@]5([C@@]1(OC)C(=O)C=C(OC)[C@H]5O)O is Elloramycin D. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@]3(O[C@@]([C@@H]([C@H](C3)O)NC(C)=O)([H])[C@@H]([C@@H](CO)O)O)C(O)=O)O)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)NC(C)=O)O)O)O)OCCCN)NC(C)=O O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@]3(O[C@@]([C@@H]([C@H](C3)O)NC(C)=O)([H])[C@@H]([C@@H](CO)O)O)C(O)=O)O)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)NC(C)=O)O)O)O)OCCCN)NC(C)=O is A branched amino hexasaccharide consisting of a D-glucosyl residue beta-linked to a 3-aminopropyl group and which carries an N-acetyl-beta-D-glucosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-glucosyl unit linked (1->6) and an N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl unit linked (1->4). Its conjugation to the carrier protein CRM197 elicits an immune response to type III Group B Streptococcus (GBSIII) indicating that it may suffice as a synthetic vaccine antigen. Its functional parent is beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-Glcp-(1->6)-[alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)]-beta-D-GlcpNAc . It is also related to or classified as glycoside  . It is also related to or classified as amino hexasaccharide .
The molecule [H][C@]12[C@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccoc3)[C@]3(COC(C)=O)[C@H](CC[C@](C)(O)[C@@]3(OC1(C)C)[C@@H]2OC(=O)C(C)CC)OC(=O)C(C)CC [H][C@]12[C@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccoc3)[C@]3(COC(C)=O)[C@H](CC[C@](C)(O)[C@@]3(OC1(C)C)[C@@H]2OC(=O)C(C)CC)OC(=O)C(C)CC is A dihydroagarofuran sesquiterpenoid that is beta-dihydroagarofuran substituted by methylbutanoyloxy groups at positions 1 and 6, a hydroxy group at position 4, a benzoyloxy group at position 8, a furancarbonyloxy group at positon 9 and an acetyloxy group at position 13. Isolated from Euonymus nanoides, it exhibits cytotoxic activity. It has the role of metabolite . It has the role of antineoplastic agent . Its functional parent is 3-furoic acid . Its functional parent is 2-methylbutyric acid .    It is also related to or classified as acetate ester  . It is also related to or classified as bridged compound , benzoate ester , cyclic ether , dihydroagarofuran sesquiterpenoid .
The molecule C(CC(=O)O)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)C(CC(=O)O)(CC(=O)O)O is a dipeptide that is Glu-Glu in which one of the amino terminal hydrogens is replaced by a beta-citryl group. It derives from a citric acid and a Glu-Glu.
The molecule C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)O)N is a dipeptide formed from L-phenylalanine and L-aspartic acid residues. It has a role as a metabolite. It derives from a L-phenylalanine and a L-aspartic acid.
The molecule [H]C(CSC)=NO [H]C(CSC)=NO is an aliphatic aldoxime resulting from the formal condensation of 2-(methylsulfanyl)acetaldehyde with hydroxylamine. Its functional parent is (methylsulfanyl)acetaldehyde . It is also related to or classified as aliphatic aldoxime  . It is also related to or classified as methyl sulfide  .
The molecule CC1CC(=O)c2c(O1)cc1c(c(O)cc(O)c1c2O)-c1c(O)cc(O)c2c(O)c3C(=O)[C@H](C)[C@@H](C)Oc3cc12 CC1CC(=O)c2c(O1)cc1c(c(O)cc(O)c1c2O)-c1c(O)cc(O)c2c(O)c3C(=O)[C@H](C)[C@@H](C)Oc3cc12 is A biaryl that is 2,2',3,3'-tetrahydro-4H,4'H-9,9'-bibenzo[g]chromene-4,4'-dione substituted by hydroxy groups at positions 5, 5', 6, 6', 8 and 8' and methyl groups at positions 2, 2' and 3 (the 2R,3R stereoisomer). It has been isolated from Chaetomium gracile. It has the role of Chaetomium metabolite . It is also related to or classified as phenols  . It is also related to or classified as biaryl , benzochromenone .
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCC(=O)NCCOP(=O)([O-])OC[C@@H](CO)O is an N-acyl-sn-glycero-3-phosphoethanolamine(1-) in which the N-acyl group is specified as (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl; major species at pH 7.3. It is a conjugate base of a N-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycero-3-phosphoethanolamine.
The molecule C1CC(=O)N[C@@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)O is a dpeptide obtained by formal condensation of the carboxy group of L-pyroglutamine with the amino group of L-glutamine It has a role as a human metabolite. It is a conjugate acid of a pyroglutamylglutaminate.
The molecule CC(=O)[C@@H]1CCC(=C)C(=O)CC\C(C)=C\[C@@H]1OC(=O)\C=C\C(C)(C)O CC(=O)[C@@H]1CCC(=C)C(=O)CC\C(C)=C\[C@@H]1OC(=O)\C=C\C(C)(C)O is A sesquiterpenoid that is a carboxylic ester obtained by the formal condensation of the 6-hydroxy group of cyclodec-4-en-1-one which is also substituted by an acetyl, a methyl and a methylidene group at positions 7, 4 and 10 respectively with the carboxy group of pent-2-enoic acid substituted with a hydroxy and a methyl group at position 4. It is an antiplasmodial drug isolated from a Caribbean gorgonian coral Eunicea sp. It has the role of metabolite . It has the role of antiplasmodial drug .  It is also related to or classified as tertiary alcohol  . It is also related to or classified as carboxylic ester  . It is also related to or classified as sesquiterpenoid , cyclic ketone .
The molecule CCCCCC(C1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3O)O)O)O is a tetrahydroxyanthraquinone that is 1,3,6,8-tetrahydroxy-9,10-anthraquinone bearing a 1-hydroxyhexyl substituent at position 2. It has a role as a fungal metabolite. It is a polyketide and a tetrahydroxyanthraquinone.
The molecule C/C/1=C\\CCC(=C)[C@H]2CC([C@@H]2CC1)(C)C is a beta-caryophyllene in which the stereocentre adjacent to the exocyclic double bond has S configuration while the remaining stereocentre has R configuration. It is the most commonly occurring form of beta-caryophyllene, occurring in many essential oils, particularly oil of cloves. It has a role as a non-steroidal anti-inflammatory drug, a fragrance, a metabolite and an insect attractant. It is an enantiomer of a (+)-beta-caryophyllene.
The molecule O([C@H]1[C@@H](O)[C@H](O[C@@H](O)[C@@H]1O)CO)[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O O([C@H]1[C@@H](O)[C@H](O[C@@H](O)[C@@H]1O)CO)[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O is A glycosylgalactose that is beta-D-galactopyranose in which the hydroxy group at position 3 has been converted into the corresponding alpha-L-arabinopyranosyl derivative. Its functional parent is beta-D-galactose . Its functional parent is alpha-L-arabinopyranose . It is also related to or classified as glycosylgalactose .