anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC(C)=CCc1c(O)c(CC(O)C(C)=C)c2occ(-c3ccc(O)c(O)c3)c(=O)c2c1O CC(C)=CCc1c(O)c(CC(O)C(C)=C)c2occ(-c3ccc(O)c(O)c3)c(=O)c2c1O is A hydroxyisoflavone that is isoflavone substituted by hydroxy groups at positions 5, 7, 3' and 4', a prenyl group at position 6 and a 2-hydroxy-3-methylbut-3-enyl moiety at position 8. Isolated from the leaves of Millettia pachycarpa, it exhibits antiestrogenic activity. It has the role of metabolite . It has the role of anti-estrogen . It is also related to or classified as secondary alcohol  . It is also related to or classified as hydroxyisoflavone .
The molecule O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OCC=C)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(=O)OCC=C)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O is an organic triphosphate formed by condensation between the gamma-phospho group of uridine 5'-triphosphate and allyl alcohol. Its functional parent is UTP . Its functional parent is allyl alcohol . It is also related to or classified as organic triphosphate .
The molecule O[C@H]1[C@@H](O)[C@@H](OP([O-])([O-])=O)[C@H](O)[C@@H](O)[C@@H]1OP([O-])([O-])=O O[C@H]1[C@@H](O)[C@@H](OP([O-])([O-])=O)[C@H](O)[C@@H](O)[C@@H]1OP([O-])([O-])=O is an organophosphate oxoanion arising from deprotonation of the phosphate OH groups of 1D-myo-inositol 1,4-bisphosphate; major species at pH 7.3. It has the role of human metabolite . It is also related to or classified as inositol phosphate oxoanion .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O[C@H]2[C@@H]([C@H]([C@@H](O[C@H]2C(=O)[O-])O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)NS(=O)(=O)[O-])O)COS(=O)(=O)[O-])OS(=O)(=O)[O-])O)CO)O)O is a carbohydrate acid derivative anion arising from deprotonation of the carboxylic acid and sulfate groups of the repeating units of heparan sulfate N-acetyl-alpha-D-glucosaminide; major species at pH 7.3. It is a carbohydrate acid derivative anion, an organic sulfamate oxoanion and an ionic polymer. It is a conjugate base of a heparan sulfate N-acetyl-alpha-D-glucosaminide.
The molecule O=C1NC(=O)CC(C1)C[C@@H](O)CC(=O)/C(=C/C(=C/C(O)C)/C)/C O=C1NC(=O)CC(C1)C[C@@H](O)CC(=O)/C(=C/C(=C/C(O)C)/C)/C is Hydroxyiso-9-methylstreptimidone. It is also related to or classified as enone  . It is also related to or classified as beta-hydroxy ketone .
The molecule CC(=O)N(O)CCCC[C@H](NC(=O)CC(O)(CC(=O)N[C@@H](CCCCN(O)C(C)=O)C(O)=O)C(O)=O)C(O)=O CC(=O)N(O)CCCC[C@H](NC(=O)CC(O)(CC(=O)N[C@@H](CCCCN(O)C(C)=O)C(O)=O)C(O)=O)C(O)=O is aerobactin. It has the role of siderophore . It has the role of virulence factor . It has the role of Escherichia coli metabolite . It is a conjugate acid of aerobactinate(3-) . It is also related to or classified as L-lysine derivative .
The molecule C1=CC(=C(C=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O)O is a member of the class of 7-hydroxyisoflavones which consists of isoflavone substituted by hydroxy groups at positions 5, 7, 3' and 4'. It has been isolated from the mycelia of Cordyceps sinensis. It has a role as an anti-inflammatory agent, a radical scavenger, a plant metabolite and a fungal metabolite. It derives from an isoflavone.
The molecule CC(C)=CCc1c(O)c(CC(O)C(C)=C)c(O)c2c1occ(-c1ccc(O)c(O)c1)c2=O CC(C)=CCc1c(O)c(CC(O)C(C)=C)c(O)c2c1occ(-c1ccc(O)c(O)c1)c2=O is A member of the class of 7-hydroxyisoflavones that is isoflavone substituted by hydroxy groups at positions 5, 7, 3' and 4', a prenyl group at position 8 and a 2-hydroxy-3-methylbut-3-enyl moiety at position 6. Isolated from the leaves of Millettia pachycarpa, it exhibits antiestrogenic activity. It has the role of anti-estrogen . It has the role of plant metabolite . It is also related to or classified as secondary alcohol  . It is also related to or classified as 7-hydroxyisoflavones  .
The molecule CC=CCOP(O)(=O)OP(O)(O)=O CC=CCOP(O)(=O)OP(O)(O)=O is an organic diphosphate formed by condensation of diphosphoric acid with crotyl alcohol. Its functional parent is crotyl alcohol . It is also related to or classified as organic diphosphate .
The molecule NC(=O)NC(=O)CC([O-])=O NC(=O)NC(=O)CC([O-])=O is conjugate base of 3-oxo-3-ureidopropanoic acid. It is also related to or classified as 3-oxo monocarboxylic acid anion  .
The molecule O=C(OCCOCCOC(=O)C1=C(C(=O)OC)C=CC=C1)C2=C(C(=O)OCCOCCO)C=CC=C2 O=C(OCCOCCOC(=O)C1=C(C(=O)OC)C=CC=C1)C2=C(C(=O)OCCOCCO)C=CC=C2 is Cochphthester B. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule C(CC(=O)O)[C@H](C(=O)O)O is the (R)-enantiomer of 2-hydroxyglutaric acid. It has a role as an algal metabolite. It is an enantiomer of a (S)-2-hydroxyglutaric acid.
The molecule CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)NC(=O)C)O)CO)NC(=O)C)O)O)O is an amino trisaccharide comprising alpha-sialyl, N-acetyl-beta-D-glucosaminyl and N-acetyl-D-glucosamine linked in a (2->6) and (1->4) sequence. It has a role as an epitope. It is an amino trisaccharide and a glucosamine oligosaccharide.
The molecule C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC4=CC=CC5=CC=CC=C54 C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC4=CC=CC5=CC=CC=C54 is N-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1CN2CCC1C(C2)NC(=O)C3=CC(=C(C4=C3N=CN4)[N+](=O)[O-])Cl C1CN2CCC1C(C2)NC(=O)C3=CC(=C(C4=C3N=CN4)[N+](=O)[O-])Cl is N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloro-7-nitro-1H-benzimidazole-4-carboxamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule [H][C@@]1(OC(=O)\C=C\CC\C=C\[C@H](OC)[C@@H](O)[C@H](C)\C=C1\C)[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1 [H][C@@]1(OC(=O)\C=C\CC\C=C\[C@H](OC)[C@@H](O)[C@H](C)\C=C1\C)[C@H](C)C(=O)CCCC1CC(=O)NC(=O)C1 is A 14-membered macrolide which is isolated from Streptomyces sp.MK929-43F1 and inhibits cell migration of human esophageal cancer EC17 cells and mouse melanona B16 cells. It has the role of metabolite . It has the role of antineoplastic agent .  It is also related to or classified as ether  . It is also related to or classified as secondary alcohol  . It is also related to or classified as macrolide antibiotic , piperidones .
The molecule CN1CCN(CC1)C(=O)OC1N(C(=O)c2nccnc12)c1ccc(Cl)cn1 CN1CCN(CC1)C(=O)OC1N(C(=O)c2nccnc12)c1ccc(Cl)cn1 is A pyrrolo[3,4-b]pyrazine compound having a 4-methylpiperazine-1-carboxyl group at the 5-position, a 5-chloropyridin-2-yl group at the 6-position and an oxo-substituent at the 7-position. It has the role of central nervous system depressant . It has the role of sedative . It is also related to or classified as monochloropyridine  . It is also related to or classified as pyrrolopyrazine .
The molecule CN(CC1=CC=CC=C1)C(=O)COC(=O)C=CC2=CC=CO2 CN(CC1=CC=CC=C1)C(=O)COC(=O)C=CC2=CC=CO2 is 3-(2-furanyl)-2-propenoic acid [2-[methyl-(phenylmethyl)amino]-2-oxoethyl] ester. It is also related to or classified as fatty acid ester  .
The molecule CC=CCO CC=CCO is A primary alcohol in which the hydroxy function is bonded to a CH3CH=CHCH2- (crotyl) group. It is also related to or classified as primary alcohol  .
The molecule CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)O)C(=O)OCC(=O)NC2=CC=C(C=C2)OC(F)(F)F CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)O)C(=O)OCC(=O)NC2=CC=C(C=C2)OC(F)(F)F is 5-(diethylsulfamoyl)-2-hydroxybenzoic acid [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] ester. Its functional parent is salicylic acid . It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule CC(=O)C(C)(C)NC(=O)C1=CC(=CC(=C1)Cl)Cl is a methyl ketone resulting from the formal hydration of the ethynyl group of the herbicide propyzamide. It is a major soil metabolite of propyzamide. It has a role as a xenobiotic metabolite. It is a member of benzamides, a dichlorobenzene and a methyl ketone. It derives from a propyzamide.
The molecule [C@@H]1([C@@H](O)[C@]2(C[C@@]3(N1C[C@H](C3)[NH2+]C)CC[C@@H]2O)[H])CC4=CC=C(C=C4)OC [C@@H]1([C@@H](O)[C@]2(C[C@@]3(N1C[C@H](C3)[NH2+]C)CC[C@@H]2O)[H])CC4=CC=C(C=C4)OC is major species at pH 7.3. It is also related to or classified as methylated secondary ammonium ion  .
The molecule CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O is A branched amino decasaccharide consisting of a beta-D-GlcNAc residue at the reducing end with a beta-D-GalNAc-(1->4)-beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[beta-D-GalNAc-(1->4)-beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-[beta-D-Xyl-(1->2)]-beta-D-Man-(1->4)-beta-D-GlcNAc moiety attached via a beta-(1->4)-linkage. It is also related to or classified as galactosamine oligosaccharide , glucosamine oligosaccharide , amino decasaccharide .
The molecule C(CCC/C=C\C/C=C\CC(/C=C/C=C\CCCCC)=O)(=O)O C(CCC/C=C\C/C=C\CC(/C=C/C=C\CCCCC)=O)(=O)O is an oxoicosatetraenoic acid that is (5Z,8Z,12E,14Z)-icosatetraenoic acid bearing a single oxo substituent located at position 12. It has the role of human metabolite . Its functional parent is icosa-5,8,12,14-tetraenoic acid . It is a conjugate acid of 11-oxo-ETE(1-) . It is also related to or classified as enone  . It is also related to or classified as oxoicosatetraenoic acid .
The molecule CCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)([O-])[O-])OP(=O)([O-])[O-])O)O)OC(=O)CCCCCCC is a 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate(5-) in which the phosphatidyl acyl groups at positions 1 and 2 are both specified as octanoyl. It is a conjugate base of a 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4,5-bisphosphate).
The molecule [H][C@]1([C@H](C)CCC(O)=O)[C@H](O)C[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C [H][C@]1([C@H](C)CCC(O)=O)[C@H](O)C[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C is A trihydroxy-5beta-cholanic acid that is 5beta-cholan-24-oic acid substituted by hydroxy groups at positions 3, 7 and 16 (the 3alpha,7alpha,16alpha stereoisomer). It is a major constituent of the bile of several avian species. It has the role of animal metabolite . It is a conjugate acid of avicholate .  It is also related to or classified as 16alpha-hydroxy steroid  .   It is also related to or classified as 3alpha-hydroxy steroid  . It is also related to or classified as 7alpha-hydroxy steroid  . It is also related to or classified as C24-steroid , trihydroxy-5beta-cholanic acid , bile acid .
The molecule CCC(C)(C)[C@H](NC(=O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)C(NC(=O)[C@@H](C)NC=O)C(O)c1ccc(Br)cc1)C(C)(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CS(O)(=O)=O)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)[C@H](CCC(N)=O)N(C)C1=O)C(C)C CCC(C)(C)[C@H](NC(=O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)C(NC(=O)[C@@H](C)NC=O)C(O)c1ccc(Br)cc1)C(C)(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H](CS(O)(=O)=O)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(=O)[C@H](CCC(N)=O)N(C)C1=O)C(C)C is A cyclodepsipeptide isolated from the marine sponge Sidonops microspinosa and has been shown to exhibit anti-HIV-1 activity. It has the role of metabolite . It has the role of anti-HIV-1 agent . It is also related to or classified as organosulfonic acid  . It is also related to or classified as cyclodepsipeptide  .
The molecule [O-][N+](=O)c1c(Cl)cccc1-c1c[nH]cc1Cl [O-][N+](=O)c1c(Cl)cccc1-c1c[nH]cc1Cl is A member of the class of pyrroles carrying chloro and 3-chloro-2-nitrophenyl substituents at positions 3 and 4 respectively. It has the role of bacterial metabolite . It has the role of antifungal drug . It is also related to or classified as alkaloid  . It is also related to or classified as pyrroles , C-nitro compound , monochlorobenzenes .
The molecule Cc1nc(sc1CCOP([O-])([O-])=O)C([O-])=O Cc1nc(sc1CCOP([O-])([O-])=O)C([O-])=O is the organophosphate oxoanion that is 2-(2-carboxy-4-methylthiazol-5-yl)ethyl phosphate protonated to pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@@H]([C@H](CO)O)[C@H]([C@H](CO)O)O)CO)O)O)O)O)O)O)O is a tetrasaccharide consisting of three beta-D-galactopyranosyl residues and an L-mannitol group joined in sequence by (1->6), (1->4) and (1->3) glycosidic linkages. It is an oligosaccharide and a tetrasaccharide.
The molecule C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2OC3=C(OC4=CC(=O)C=C(C4=C3)O)C5=CC(=C(C=C5)O)O)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O)O is an oxonium betaine obtained by deprotonation of the 5-hydroxy group of cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside). It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside).
The molecule C1CC=C(C1)C2=CC=C(C=C2)[C@H]3[C@H]4CNCC(=O)N4[C@@H]3CO C1CC=C(C1)C2=CC=C(C=C2)[C@H]3[C@H]4CNCC(=O)N4[C@@H]3CO is (6S,7S,8S)-7-[4-(1-cyclopentenyl)phenyl]-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CC(C)N1N=CN=C1C1=CN2CCOC3=C(C=CC(O[C@@H](C)C(N)=O)=C3)C2=N1 CC(C)N1N=CN=C1C1=CN2CCOC3=C(C=CC(O[C@@H](C)C(N)=O)=C3)C2=N1 is an organic heterotricyclic compound that is 5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine substituted by 1-(propan-2-yl)-1H-1,2,4-triazol-5-yl and [(2S)-1-amino-1-oxopropan-2-yl]oxy groups at positions 2 and 9, respectively. It is a potent and selective inhibitor of PI3Kalpha (Ki = 0.2 nM). It has the role of antineoplastic agent . It has the role of EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor . It is also related to or classified as primary carboxamide  . It is also related to or classified as ether  . It is also related to or classified as organic heterotricyclic compound , triazoles , tertiary amino compound .
The molecule C(/C=C/C=C/[C@H]([C@@H](O)C/C=C\C/C=C\CC)O)=C/C/C=C\CCC(O)=O C(/C=C/C=C/[C@H]([C@@H](O)C/C=C\C/C=C\CC)O)=C/C/C=C\CCC(O)=O is A dihydroxydocosahexaenoic acid that is (4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid in which the two hydroxy substituents are located at the 13R- and 14S-positions. It has the role of specialised pro-resolving mediator . It has the role of anti-inflammatory agent . It has the role of human xenobiotic metabolite . It is a conjugate acid of (13R,14S)-dihydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate . It is also related to or classified as secondary allylic alcohol  . It is also related to or classified as dihydroxydocosahexaenoic acid .
The molecule CC(CC=O)(CC(=O)[O-])O is a hydroxy monocarboxylic acid anion corresponding to the conjugate base of mevaldic acid; major species at pH 7.3. It is a 5-oxo monocarboxylic acid anion and a hydroxy monocarboxylic acid anion. It is a conjugate base of a mevaldic acid.
The molecule CC(CCCCCCCCCCCC([C@@H]([NH3+])CS(=O)(=O)[O-])=O)C CC(CCCCCCCCCCCC([C@@H]([NH3+])CS(=O)(=O)[O-])=O)C is major microspecies at pH 7.3. It is also related to or classified as fatty amide .
The molecule CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC([O-])=O)[C@@H](O)CC1=O CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](C\C=C/CCCC([O-])=O)[C@@H](O)CC1=O is A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin D2., obtained by deprotonation of the carboxy group; major species at pH 7.3. It has the role of human metabolite . It is also related to or classified as prostaglandin carboxylic acid anion .
The molecule [H][C@@]12O[C@]1(C)\C=C\C(=O)\C(C)=C\[C@]1([H])[C@]([H])(CC[C@H](C)CC2=O)C1(C)C [H][C@@]12O[C@]1(C)\C=C\C(=O)\C(C)=C\[C@]1([H])[C@]([H])(CC[C@H](C)CC2=O)C1(C)C is A macrocyclic diterpenoid isolated from the soft coral Sinularia microclavata and has been shown to exhibit cytotoxic activities against tumor cell lines. It has the role of antineoplastic agent . It has the role of coral metabolite . It is also related to or classified as diterpenoid  . It is also related to or classified as epoxide  . It is also related to or classified as macrocycle  . It is also related to or classified as enone  .
The molecule ClC(CCCCCC=C)C(O)CC#CC#CC(O)C=C ClC(CCCCCC=C)C(O)CC#CC#CC(O)C=C is Ginsenoyne B. It is also related to or classified as alcohol  . It is also related to or classified as organochlorine compound  .
The molecule OP(O)(=O)OP(O)(=O)OCC=C OP(O)(=O)OP(O)(=O)OCC=C is an organic diphosphate formed by condensation of diphosphoric acid with allyl alcohol. Its functional parent is allyl alcohol . It is also related to or classified as organic diphosphate .
The molecule O=c1ccoc2ccccc12 O=c1ccoc2ccccc12 is the simplest member of the class of chromones that is 4H-chromene with an oxo group at position 4.  It is also related to or classified as enone  . It is also related to or classified as chromones .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)OC(=O)CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC is a CDP-diacylglycerol(2-) obtained by deprotonation of the diphosphate OH groups of CDP-1-palmitoyl-2-arachidonoyl-sn-glycerol; major species at pH 7.3. It has a role as a human metabolite.
The molecule CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O is A branched amino octasaccharide consisting of a beta-D-GlcNAc residue at the reducing end with a beta-D-GalNAc-(1->4)-beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)-[alpha-D-Man-(1->3)]-[beta-D-Xyl-(1->2)]-beta-D-Man-(1->4)-beta-D-GlcNAc moiety attached via a beta-(1->4)-linkage. It is also related to or classified as galactosamine oligosaccharide , glucosamine oligosaccharide , amino octasaccharide .
The molecule CCCCCCC\C=C/CCCCCCCC(O)=O CCCCCCC\C=C/CCCCCCCC(O)=O is A heptadecenoic acid in which the double bond is located at the 9-10 position and has Z configuration. It has the role of antifungal agent . It has the role of fungal metabolite . It is a conjugate acid of (9Z)-heptadecenoate . It is also related to or classified as heptadecenoic acid , straight-chain fatty acid .
The molecule C[C@H]1[C@H](C[C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@H]3[C@@H]([C@H](OC([C@@H]3NC(=O)C)O)CO)O)CO)O)O)O)O is an amino trisaccharide which has an N-acetyl-D-glucosamine unit at the reducing end with an alpha-L-colitosyl-(1->2)-beta-D-galactosyl group attached at the 3-position. It is a glucosamine oligosaccharide, an amino trisaccharide and a deoxy oligosaccharide derivative.
The molecule COc1cc(C)cc2c(cc(c(O)c12)-c1cc(-c2c(O)cc(O)c3[C@H](C)N[C@@H](C)Cc23)c2cc(C)cc(OC)c2c1O)-c1c(O)cc(O)c2[C@H](C)N[C@@H](C)Cc12 COc1cc(C)cc2c(cc(c(O)c12)-c1cc(-c2c(O)cc(O)c3[C@H](C)N[C@@H](C)Cc23)c2cc(C)cc(OC)c2c1O)-c1c(O)cc(O)c2[C@H](C)N[C@@H](C)Cc12 is A dimeric isoquinoline alkaloid isolated from Ancistrocladus abbreviatus and has been shown to exhibit anti-HIV activity. It has the role of metabolite . It has the role of anti-HIV-1 agent . It has the role of anti-HIV-2 agent . It is also related to or classified as isoquinoline alkaloid , isoquinolines , naphthols , polyphenol , ring assembly , methoxynaphthalene , aromatic ether .
The molecule N[C@@H](CCSCC[C@H](N)C(O)=O)C(O)=O N[C@@H](CCSCC[C@H](N)C(O)=O)C(O)=O is A sulfur-containing amino acid in which the gamma-carbon atoms of two molecules of L-aminobutyric acid are joined via a thioether linkage. It is a byproduct of cystathionine-gamma-lyase and a possible human hyperhomocysteinemia marker. Its functional parent is L-homocysteine . It is also related to or classified as organic sulfide  . It is also related to or classified as sulfur-containing amino acid , non-proteinogenic L-alpha-amino acid .
The molecule CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)O)OC)C(=O)OCC3=CC=C(C=C3)OC CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)O)OC)C(=O)OCC3=CC=C(C=C3)OC is 4-(4-hydroxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (4-methoxyphenyl)methyl ester. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule CCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCC/C=C\\CCCCCCCC is a 2,3-diacyl-sn-glycerol that has oleoyl and lauroyl as the 2- and 3-acyl groups respectively. It is a 2,3-diacyl-sn-glycerol, a 1-lauroyl-2-oleoylglycerol and a dodecanoate ester. It is an enantiomer of a 1-lauroyl-2-oleoyl-sn-glycerol.
The molecule COCC(=O)N1[C@H]([C@H](C12CN(C2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4)CO COCC(=O)N1[C@H]([C@H](C12CN(C2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4)CO is 1-[(2R,3R)-6-benzoyl-2-(hydroxymethyl)-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]-2-methoxyethanone. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule CCCCCCCCCCCCCCCCOC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C CCCCCCCCCCCCCCCCOC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C is A lysophosphatidylcholine O-16:0e in which the hexadecyl group at C-1 contains 16 carbons of which none are unsaturated. It has the role of metabolite . It is also related to or classified as 1-alkyl-sn-glycero-3-phosphocholine  . It is also related to or classified as lysophosphatidylcholine O-16:0  .
The molecule C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=O)C=C(C4=C3)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C6=CC(=C(C=C6)O)O)O)O)O)O)O)O is conjugate base of cyanidin 3-O-rutinoside 5-O-beta-D-glucoside arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3. It is a conjugate base of a cyanidin 3-O-rutinoside 5-O-beta-D-glucoside.
The molecule [H][As]([H])([H])([H])[H] [H][As]([H])([H])([H])[H] is arsorane.  It is also related to or classified as arsoranes  . It is also related to or classified as arsenic hydride , mononuclear parent hydride .
The molecule CC1=CC(=NC(=N1)N2CCC(CC2)C(=O)O)C CC1=CC(=NC(=N1)N2CCC(CC2)C(=O)O)C is 1-(4,6-dimethyl-2-pyrimidinyl)-4-piperidinecarboxylic acid.  It is also related to or classified as carboxylic acid  . It is also related to or classified as piperidines .