anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [H][C@@]12C(=O)[C@H](O)[C@@H](C)[C@]3(CC[C@]4(COC=C4)O3)[C@@]1(C)CC[C@@H](OC(C)=O)C2(C)C [H][C@@]12C(=O)[C@H](O)[C@@H](C)[C@]3(CC[C@]4(COC=C4)O3)[C@@]1(C)CC[C@@H](OC(C)=O)C2(C)C is Isopreleosibirone. It has the role of metabolite . It is also related to or classified as diterpenoid  .
The molecule CCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O is the organophosphate oxoanion that is the tetraanion formed from 3-oxohexanoyl-CoA by loss of two protons from the 5'-diphospho linkage and two protons from the 3'-phospho group; major micropspecies at pH 7.3. It is a conjugate base of a 3-oxohexanoyl-CoA.
The molecule C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)[C@H](O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)[C@H](O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O is A trimeric branched amino oligosaccharide consisting of three repeating units of beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc joined by (1->3)-linkages. It has the role of epitope . It is also related to or classified as amino oligosaccharide .
The molecule C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])CC(=O)C(=O)O is a 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is substituted by a 3,5-dinitro-4-hydroxyphenyl group. It is a 2-oxo monocarboxylic acid, a member of phenols and a C-nitro compound. It derives from a pyruvic acid and a 2,6-dinitrophenol.
The molecule CC1(C(=O)NC(=O)N(C1=O)C)C2=CCCCC2 is a member of the class of barbiturates taht is barbituric acid substituted at N-1 by methyl and at C-5 by methyl and cyclohex-1-enyl groups. It derives from a barbituric acid.
The molecule [O-]C(=O)C(=O)Cc1c[nH]c2ccccc12 [O-]C(=O)C(=O)Cc1c[nH]c2ccccc12 is A indol-3-yl carboxylic acid anion that is the conjugate base of 3-(indol-3-yl)pyruvic acid. It has the role of Saccharomyces cerevisiae metabolite . It has the role of plant metabolite . It is also related to or classified as 2-oxo monocarboxylic acid anion  . It is also related to or classified as indol-3-yl carboxylic acid anion .
The molecule [H][C@@]12[C@H](O)C(=O)[C@@H](C)[C@]3(CC[C@@]4(COC=C4)O3)[C@@]1(C)CC[C@@H](OC(C)=O)C2(C)C [H][C@@]12[C@H](O)C(=O)[C@@H](C)[C@]3(CC[C@@]4(COC=C4)O3)[C@@]1(C)CC[C@@H](OC(C)=O)C2(C)C is 13-epi-Preleosibirone. It has the role of metabolite . It is also related to or classified as diterpenoid  .
The molecule C1=CC(=CC=C1CC(=O)C(=O)[O-])N is a 2-oxo monocarboxylic acid anion resulting from the deprotonation of the carboxy group of 3-(4-aminophenyl)pyruvic acid. Major species at pH 7.3. It derives from a pyruvate. It is a conjugate base of a 3-(4-aminophenyl)pyruvic acid.
The molecule CCCCCCCCCCCCCCCCCCCC(=O)N(O)CCCC[C@H](NC(=O)[C@@H]1COC(=N1)c1ccccc1O)C(=O)O[C@H](C)CC(=O)N[C@H]1CCCCN(O)C1=O CCCCCCCCCCCCCCCCCCCC(=O)N(O)CCCC[C@H](NC(=O)[C@@H]1COC(=N1)c1ccccc1O)C(=O)O[C@H](C)CC(=O)N[C@H]1CCCCN(O)C1=O is A cyclic hydroxamic acid secreted by Mycobacterium tuberculosis which is lipid-soluble and acts as a siderophore. It has the role of siderophore .  It is also related to or classified as carboxylic ester  .  It is also related to or classified as lactam  . It is also related to or classified as cyclic hydroxamic acid , 1,3-oxazoles .
The molecule CCC(CC[C@@H](/C=C/[C@@H]1[C@H](C2CC(C2)O1)C/C=C\\CCCC(=O)[O-])O)O is a thromboxane anion that is the conjugate base of 18-hydroxycarbocyclic thromboxane A2, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a hydroxy fatty acid anion and a thromboxane anion. It derives from a carbocyclic thromboxane A2(1-). It is a conjugate base of a 18-hydroxycarbocyclic thromboxane A2.
The molecule COc1ccc2c(CC(O)=O)cc(=O)oc2c1 COc1ccc2c(CC(O)=O)cc(=O)oc2c1 is 7-methoxycoumarin-4-acetic acid. It has the role of fluorochrome . Its functional parent is coumarin . It is also related to or classified as monocarboxylic acid .
The molecule [H][C@@]12[C@H](O)C(=O)[C@@H](C)[C@]3(CC[C@]4(COC=C4)O3)[C@@]1(C)CC[C@@H](OC(C)=O)C2(C)C [H][C@@]12[C@H](O)C(=O)[C@@H](C)[C@]3(CC[C@]4(COC=C4)O3)[C@@]1(C)CC[C@@H](OC(C)=O)C2(C)C is Preleosibirone A, (rel)-. It has the role of metabolite . It is also related to or classified as diterpenoid  .
The molecule C1(=CC=C2NC(C(C2=C1)=O)=O)OC C1(=CC=C2NC(C(C2=C1)=O)=O)OC is 5-Methoxyisatin. It has the role of anticoronaviral agent . It is also related to or classified as indoles .
The molecule CC(=O)OC1=CC=C(C=C1)C=O is an acetate ester that is phenyl acetate substituted by a formyl group at position 4. It is a member of benzaldehydes and a member of phenyl acetates.
The molecule CC(=O)NCCCCN is an N-monoacetylalkane-alpha,omega-diamine that is the N-monoacetyl derivative of putrescine. It has a role as a metabolite and a mouse metabolite. It is a N-monoacetylalkane-alpha,omega-diamine and a N-substituted putrescine. It is a conjugate base of a N-acetylputrescinium.
The molecule C[C@H]1CNCCCN1S(=O)(=O)C2=CC=CC3=C2C(=CN=C3)C is a member of the class of isoquinolines that is the sulfonamide formed by the formal condensation of the sulfo group of 4-methylisoquinoline-5-sulfonic acid with the 1-amino group of (S)-2-methyl-1,4-diazepane. It has a role as an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor. It is a member of isoquinolines and a N-sulfonyldiazepane. It is a conjugate base of a (S)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane(2+).
The molecule CC(=CCC/C(=C/CC/C(=C/CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\CC/C(=C\\COP(=O)([O-])OP(=O)([O-])[O-])/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C is an organophosphate oxoanion that is the trianion of ditrans,polycis-tetradecaprenyl diphosphate arising from deprotonation of the diphosphate OH groups; major species at pH 7.3. It is a conjugate base of a ditrans,polycis-tetradecaprenyl diphosphate.
The molecule COc1ccc(c(C\C=C(/C)CCC=C(C)C)c1O)-c1oc2cc(O)cc(O)c2c(=O)c1O COc1ccc(c(C\C=C(/C)CCC=C(C)C)c1O)-c1oc2cc(O)cc(O)c2c(=O)c1O is A  tetrahydroxyflavone that is flavonol substituted by additional hydroxy groups at positions 5, 7 and 3', a methoxy group at position 4' and a geranyl group at position 2'. It has been isolated from the twigs of Morus nigra. It has the role of plant metabolite . Its functional parent is flavonol . It is also related to or classified as monomethoxyflavone  . It is also related to or classified as flavonols  . It is also related to or classified as tetrahydroxyflavone  .
The molecule CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (12Z,15Z,18Z,21Z,24Z)-triacontapentaenoic acid. It is an unsaturated fatty acyl-CoA and an ultra-long-chain fatty acyl-CoA. It derives from a (12Z,15Z,18Z,21Z,24Z)-triacontapentaenoic acid. It is a conjugate acid of a (12Z,15Z,18Z,21Z,24Z)-triacontapentaenoyl-CoA(4-).
The molecule C[C@@H]([NH3+])C(=O)O[C@H](C)C([O-])=O C[C@@H]([NH3+])C(=O)O[C@H](C)C([O-])=O is A zwitterion obtained by transfer of a proton from the carboxylic acid group to the amino group of D-alanyl-(R)-lactic acid. The major species at pH 7.3. It is also related to or classified as zwitterion  .
The molecule C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N is a kanamycin that is kanamycin B in which the 3''-amino group has been replaced by a hydroxy group. It derives from a kanamycin B. It is a conjugate base of a 3''-deamino-3''-hydroxykanamycin B(4+).
The molecule [NH4+].S(=O)([O-])([S-])=O.[NH4+] [NH4+].S(=O)([O-])([S-])=O.[NH4+] is an inorganic ammonium salt composed of ammonium and thiosulfate ions in a 2:1 ratio. It is used in the leaching of gold and silver, as a fertilizer and as a photographic fixing salt. It has the role of herbicide safener . It has the role of bleaching agent . It has the role of fertilizer . It has the role of reducing agent . It is also related to or classified as inorganic ammonium salt .
The molecule CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSCC(=O)O)O is an S-alkyl-CoA having carboxymethyl as the S-alkyl component. It has a role as a Brassica napus metabolite and an EC 2.3.3.1 [citrate (Si)-synthase] inhibitor.
The molecule OC1=CC(=O)C=CC1=O OC1=CC(=O)C=CC1=O is the simplest member of the class of 2-hydroxy-1,4-benzoquinones, that is 1,4-benzoquinone in which a single hydrogen is replaced by a hydroxy group. It has the role of mouse metabolite . It is a conjugate acid of 3,6-dioxocyclohexa-1,4-dien-1-olate . It is also related to or classified as monohydroxy-1,4-benzoquinones  .
The molecule CC(C)=CCc1c(O)cc2oc(-c3ccc(O)cc3O)c(CC=C(C)C)c(=O)c2c1O CC(C)=CCc1c(O)cc2oc(-c3ccc(O)cc3O)c(CC=C(C)C)c(=O)c2c1O is A tetrahydroxyflavone that is flavone substituted by hydroxy groups at positions 5, 7, 2' and 4' and prenyl groups at positions 3 and 6. Isolated from Morus nigra, it exhibits antibacterial and cytotoxic activities. It has the role of antibacterial agent . It has the role of antineoplastic agent . It has the role of plant metabolite . It is also related to or classified as tetrahydroxyflavone  .
The molecule CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(C(=O)C[C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)CO)C)CO is a withanolide saponin that consists of 3-hydroxy-22,26-epoxyergosta-5,24-diene substituted by additonal hydroxy groups at positions 19 and 27, oxo groups at positions 1 and 26 and a beta-D-glucopyranosyl residue at position 3 via a glycodic linkage. It has been isolated from Physalis longifolia. It has a role as a metabolite and a plant metabolite. It is a withanolide saponin, a 19-hydroxy steroid, a 27-hydroxy steroid, a delta-lactone, a beta-D-glucoside, a monosaccharide derivative and an ergostanoid.
The molecule C1=CC(=CC=C1CCNC(=O)CCCS)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)OS(=O)(=O)O)O)O is a beta-D-galactoside that is the 4-[2-(4-sulfanylbutanamido)ethyl]phenyl glycoside of a disaccharide consisting of a 3-O-sulfo-beta-D-glucuronic acid residue linked (1->3) to beta-D-galactose. It is a beta-D-galactoside and a disaccharide derivative. It is a conjugate acid of a beta-D-GlcA3S-(1->3)-beta-D-Gal-OC6H4-4-[CH2]2NHC(O)[CH2]3SH(2-).
The molecule ONc1ccccc1 ONc1ccccc1 is an  N-substituted amine that is a derivative of aniline in which one of the amino hydrogen atoms is replaced with a hydroxy substituent. It is also related to or classified as N-substituted amine .
The molecule CCO[C@@H]1CC(=O)[C@@]2([C@@H]1[C@@H](C[C@H]3[C@H]([C@@H]2O)C(=C)C(=O)O3)C)C is a pseudoguaianolide with anti-inflammatory activity isolated from the aerial parts of Inula hupehensis. It has a role as an anti-inflammatory agent and a plant metabolite. It is an ether, a gamma-lactone, a cyclic ketone, an organic heterotricyclic compound, a pseudoguaianolide and a secondary alcohol.
The molecule CC(C)=CCC\C(C)=C\CC\C(C)=C\C[C@@]12Oc3cc(O)cc(O)c3C(=O)[C@]1(O)Oc1cc(O)ccc21 CC(C)=CCC\C(C)=C\CC\C(C)=C\C[C@@]12Oc3cc(O)cc(O)c3C(=O)[C@]1(O)Oc1cc(O)ccc21 is an organic heterotetracyclic compound that is 5a,10a-dihydro-11H-[1]benzofuro[3,2-b]chromen-11-one substituted by hydroxy groups at positions 1, 3, 8 and 10a and a triprenyl group at position 5a. It has been isolated from   Morus nigra. It has the role of plant metabolite . It is also related to or classified as polyphenol , organic heterotetracyclic compound , extended flavonoid .
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3 C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3 is N-[[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-16-[[oxo-(propan-2-ylamino)methyl]amino]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methyl-2-phenylacetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)OC3=CC=C(C=C3)[N+](=O)[O-])O is a pyrimidine 2'-deoxyribonucleoside 5'-monophosphate that is the mono-p-nitrophenyl ester of thymidine 5'-monophosphate. It is a pyrimidine 2'-deoxyribonucleoside 5'-monophosphate, a C-nitro compound and an aryl phosphate. It derives from a dTMP.
The molecule C[C@@H](N)C(=O)O[C@H](C)C(O)=O C[C@@H](N)C(=O)O[C@H](C)C(O)=O is A D-alanyl ester that results from the formal condensation of the alcoholic hydroxy group of (2R)-lactic acid with the carboxylic acid group of D-alanine. Its functional parent is (R)-lactic acid . It is also related to or classified as depsipeptide  . It is also related to or classified as D-alanyl ester  .
The molecule C(=C\\C(=O)O)\\C(=C/C(=O)O)\\Cl is a 3-chloromuconic acid that is cis,cis-muconic acid substituted by a chloro substituent at position 3. It derives from a cis,cis-muconic acid. It is a conjugate acid of a 3-chloro-cis,cis-muconate(2-).
The molecule COc1c(oc2cc(O)cc(O)c2c1=O)-c1ccc(O)c2O[C@@H](Cc12)C(C)(O)CCC=C(C)C COc1c(oc2cc(O)cc(O)c2c1=O)-c1ccc(O)c2O[C@@H](Cc12)C(C)(O)CCC=C(C)C is A trihydroxyflavone that is flavone substituted by hydroxy groups at positions 5, 7 and 4', a methoxy group at position 3 and a 6-hydroxy-2-methylhept-2-en-6-yl substituted tetrahydrofuran ring across positions 5' and 6'. It has been isolated from Morus nigra. It has the role of plant metabolite . It is also related to or classified as monomethoxyflavone  . It is also related to or classified as trihydroxyflavone , extended flavonoid .
The molecule C[Si](C)(C)O[C@@H]1CSSC[C@@H]1O[Si](C)(C)C is a member of the class of dithianes that is 1,2-dithiane substituted at positions 4 and 5 by trimethylsilyloxy groups. It is a member of dithianes, an organic disulfide and a silyl ether. It derives from a hydride of a 1,2-dithiane.
The molecule COc1cc(oc(=O)c1)[C@@H]1O[C@H]1c1ccccc1 COc1cc(oc(=O)c1)[C@@H]1O[C@H]1c1ccccc1 is A pyranone that is 2H-pyran-2-one substituted by a methoxy group at position 4 and a 3-phenyloxiran-2-yl group at position 6 (the 2R,3S stereoisomer). Isolated from Didymocarpus aurantiacus and Piper rusbyi, it exhibits antileishmanial activity. It has the role of metabolite . It has the role of antileishmanial agent . It is also related to or classified as epoxide  .  It is also related to or classified as ether  . It is also related to or classified as 2-pyranones .
The molecule CCCCC[C@H]1CCCCCCCCCC(=O)O[C@H]2[C@H]([C@@H](O[C@H]([C@@H]2O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)OC(=O)[C@@H](C)CC)OC(=O)/C=C/C5=CC=CC=C5)O)O[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)C)O)O)O)OC(=O)[C@@H](C)CC)C)O[C@@H]7[C@H]([C@H]([C@H](O[C@H]7O1)C)O)O)O is a resin glycoside that is the pentasaccharide derivative of jalapinolic acid. Isolated from the aerial parts of Ipomoea pes-caprae, it has been found to exhibit potential inhibitory effect against multidrug resistance in the human breast cancer cell line. It has a role as a metabolite. It is a cinnamate ester, a macrocyclic lactone, a pentasaccharide derivative and a resin glycoside. It derives from a trans-cinnamic acid, a (S)-2-methylbutyric acid and a jalapinolic acid.
The molecule [113Cd] [113Cd] is the isotope of cadmium with relative atomic mass 112.904401, 12.2 atom percent natural abundance and nuclear spin 1/2. It is also related to or classified as cadmium atom  .
The molecule NC(=O)C(=C/c1ccc(o1)[N+]([O-])=O)\c1ccco1 NC(=O)C(=C/c1ccc(o1)[N+]([O-])=O)\c1ccco1 is A member of the class of acrylamides that is acrylamide which is substituted at positions 2 and 3 by 2-furyl and 5-nitro-2-furyl groups, respectively (the trans isomer). Formerly used as a food preservative, it was withdrawn from the market following suspicions of carcenogenicity. It is also related to or classified as primary carboxamide  . It is also related to or classified as acrylamides , nitrofuran antibiotic , C-nitro compound .
The molecule CC(C)=CCc1c(oc2c(c(O)cc(O)c2c1=O)C(C)(C)C=C)-c1ccc(O)cc1O CC(C)=CCc1c(oc2c(c(O)cc(O)c2c1=O)C(C)(C)C=C)-c1ccc(O)cc1O is A  tetrahydroxyflavone that is flavone substituted by hydroxy groups at positions 5, 7, 2' and 4', a prenyl group at position 3 and a 3-methylbut-1-en-3-yl group at position 8.  It has been isolated from the twigs of Morus nigra and has been found to promote adipogenesis. It has the role of metabolite . It has the role of plant metabolite . It is also related to or classified as tetrahydroxyflavone  .
The molecule C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)NC(C)C is N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[oxo-(propan-2-ylamino)methyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O is a methyl glycoside that is beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranose in which the anomeric hydroxy group is replaced by methoxy. It is a methyl glycoside and an amino disaccharide. It derives from a beta-D-Galp-(1->4)-D-GlcpNAc.
The molecule CC(C)=CCC\C(CO)=C\Cc1cc(O)ccc1O CC(C)=CCC\C(CO)=C\Cc1cc(O)ccc1O is A polyprenylhydroquinone consisting of hydroquinone in which the hydrogen at position 2 is substituted by a (2Z)-3-(hydroxymethyl)-7-methylocta-2,6-dien-1-yl group. Its functional parent is geranylhydroquinone .  It is also related to or classified as terpenoid  . It is also related to or classified as polyprenylhydroquinone .
The molecule C1=CC2=C(C(=C1)O)NC=C2C[C@@H](C(=O)O)N is an optically active form of 7-hydroxytryptophan having L-configuration. It is a 7-hydroxytryptophan, a non-proteinogenic L-alpha-amino acid and a L-tryptophan derivative.
The molecule NC(=N)NC(=N)N(C)C.Cl NC(=N)NC(=N)N(C)C.Cl is A hydrochloride resulting from the reaction of metformin with one molar equivalent of hydrogen chloride. It has the role of hypoglycemic agent . It has the role of xenobiotic . It has the role of environmental contaminant . It is also related to or classified as hydrochloride .
The molecule Clc1ccc(cc1)C(c1ccc(Cl)cc1)C(Cl)(Cl)Cl Clc1ccc(cc1)C(c1ccc(Cl)cc1)C(Cl)(Cl)Cl is A chlorophenylethane that is 1,1,1-trichloro-2,2-diphenylethane substituted by additional chloro substituents at positions 4 of the phenyl substituents. It is a commonly used organochlorine insecticide. It has the role of endocrine disruptor . It has the role of bridged diphenyl acaricide . It has the role of carcinogenic agent . It has the role of persistent organic pollutant . Its functional parent is 4,4'-dichlorodiphenylmethane . Its functional parent is 1,1,1-trichloro-2,2-diphenylethane . It is also related to or classified as chlorophenylethane , organochlorine insecticide , monochlorobenzenes , benzenoid aromatic compound .
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (15Z,18Z,21Z,24Z,27Z)-3-oxotriacontapentaenoic acid. It is an unsaturated fatty acyl-CoA, a 3-oxo-fatty acyl-CoA and an ultra-long-chain fatty acyl-CoA. It is a conjugate acid of a (15Z,18Z,21Z,24Z,27Z)-3-oxotriacontapentaenoyl-CoA(4-).
The molecule COC(=O)CCCCCC(=O)N(O)CCCCC(NC(=O)C1COC(=N1)c1ccccc1O)C(=O)OC(C)CC(=O)NC1CCCCN(O)C1=O COC(=O)CCCCCC(=O)N(O)CCCCC(NC(=O)C1COC(=N1)c1ccccc1O)C(=O)OC(C)CC(=O)NC1CCCCN(O)C1=O is A carboxylic ester-lactam secreted by Mycobacterium tuberculosis which is both lipid- and water-soluble and acts as a siderophore. It has the role of siderophore .  It is also related to or classified as methyl ester  .  It is also related to or classified as lactam  . It is also related to or classified as cyclic hydroxamic acid , 1,3-oxazoles .
The molecule CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)OCCCC2=CC=C(C=C2)F)O)O)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O is a glycophytoceramide having a 4-O-[3-(4-fluorophenyl)propyl]-alpha-D-galactosyl residue at the O-1 position and a hexacosanoyl group attached to the nitrogen. One of a series of an extensive set of 4"-O-alkylated alpha-GalCer analogues evaluated (PMID:30556652) as invariant natural killer T-cell (iNKT) antigens. It derives from an alpha-D-galactose.
The molecule C[C@H](CCCCCCCCCCCCCCCCCC(=O)O)O is an (omega-1)-hydroxy fatty acid that is arachidic acid acid in which the 19-pro-R hydrogen is replaced by a hydroxy group. It is an (omega-1)-hydroxy fatty acid and a long-chain fatty acid. It derives from an icosanoic acid.
The molecule C[C@H]1Oc2cc(O)c3c(oc(-c4ccc(O)cc4O)c(CC=C(C)C)c3=O)c2C1(C)C C[C@H]1Oc2cc(O)c3c(oc(-c4ccc(O)cc4O)c(CC=C(C)C)c3=O)c2C1(C)C is A  furochromene that is 8,9-dihydro-4H-furo[2,3-h]chromen-4-one substituted by a 2,4-dihydroxyphenyl group at position 2, a hydroxy group at position 5, methyl groups at positions 8, 9 and 9 and a prenyl group at position 3. It has been isolated from the twigs of Morus nigra and has been found to promote adipogenesis. It has the role of plant metabolite . It is also related to or classified as trihydroxyflavone , furochromene , extended flavonoid .
The molecule CC[C@@H](C(/C=C/C=C/C=C\\C/C=C\\C/C=C\\CCCC(=O)O)O)O is a member of the class of resolvins that is (5Z,8Z,11Z,13E,15E)-icosapentaenoic acid which is substituted at positions 17 and 18 by hydroxy groups (the 17,18S stereoisomer). It has a role as an anti-inflammatory agent. It is a resolvin, a secondary allylic alcohol, a diol and a hydroxy polyunsaturated fatty acid.
The molecule [H]\C(C(C)C)=N\O [H]\C(C(C)C)=N\O is A 2-methylpropanal oxime in which the oxime double bond has Z geometry. It is also related to or classified as 2-methylpropanal oxime  .
The molecule CC1=CC=C(C=C1)NC(=O)C is a member of the class of toluenes that is 4-aminotoluene in which one of the hydrogens attached to the amino group has been replaced by an acetyl group. It is a member of toluenes and a member of acetamides. It derives from a p-toluidine.
The molecule O=C(Nc1cccnc1)c1cc(cc(c1)C(=O)Nc1cccnc1)C(=O)Nc1cccnc1 O=C(Nc1cccnc1)c1cc(cc(c1)C(=O)Nc1cccnc1)C(=O)Nc1cccnc1 is A tricarboxylic acid triamide resulting from the formal condensation of the each carboxy group or benzene-1,3,5-tricarboxylic acid with the primary amino group of a molecule of 3-aminopyridine. Its functional parent is benzene-1,3,5-tricarboxylic acid . It is also related to or classified as secondary carboxamide  . It is also related to or classified as tricarboxylic acid triamide .
The molecule C1=COC(=C1)C(=O)OC2=CN=CC(=C2)Br C1=COC(=C1)C(=O)OC2=CN=CC(=C2)Br is 5-Bromopyridin-3-yl furan-2-carboxylate. It has the role of anticoronaviral agent . Its functional parent is 2-furoic acid . It is also related to or classified as carboxylic ester  .