anonymous041/ChEBI-Augmented huggingface dataset:
The molecule COc1cc(CC=C)c(C)cc1O COc1cc(CC=C)c(C)cc1O is A phenylpropanoid consisting of eugenol having a methyl substituent at the 5-position. Its functional parent is eugenol . It is also related to or classified as phenylpropanoid .
The molecule C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)[C@H](C)CO)C)CN(C)S(=O)(=O)C4=CC=C(C=C4)OC C[C@@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)C)[C@H](C)CO)C)CN(C)S(=O)(=O)C4=CC=C(C=C4)OC is N-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-1-methyl-4-imidazolesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C(CCCCCCC(C)C)CC\C=C\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCC)=O)COP(OCC[N+](C)(C)C)(=O)[O-] C(CCCCCCC(C)C)CC\C=C\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCC)=O)COP(OCC[N+](C)(C)C)(=O)[O-] is A sphingomyelin 33:1 obtained by formal condensation of the carboxy group of hexadecanoic acid with the amino group of 15-methylhexadecasphingosine-1-phosphocholine. It is a metabolite of the nematode Caenorhabditis elegans. It has the role of Caenorhabditis elegans metabolite . Its functional parent is hexadecanoic acid . Its functional parent is 15-methylhexadecasphing-4-enine . It is also related to or classified as sphingomyelin 33:1  .
The molecule O1C23C4C5(C(C2C(C(O)C(O)C3)(C1=O)C)C(O)=O)CC(C(O)C4)C(C5)=C O1C23C4C5(C(C2C(C(O)C(O)C3)(C1=O)C)C(O)=O)CC(C(O)C4)C(C5)=C is Gibberellin A49. It is also related to or classified as C19-gibberellin , gibberellin monocarboxylic acid .
The molecule CCCCCCCCCCCCCC(=O)CC(=O)O is an oxo-fatty acid comprising palmitic acid having an oxo group at the 3-position; an intermediate in fatty acid biosynthesis. It is a long-chain fatty acid and a 3-oxo fatty acid. It derives from a hexadecanoic acid.
The molecule P([O-])(=O)=O.[K+] P([O-])(=O)=O.[K+] is A potassium salt of metaphosphoric acid. It has the role of fertilizer . It has the role of buffer . It has the role of food emulsifier . It has the role of sequestrant . It has the role of raising agent . It is also related to or classified as inorganic phosphate , potassium salt .
The molecule C(CCC)C/C=C\C/C=C\C/C=C\C/C=C\CCCC(N[C@H](C(=O)O)CO)=O C(CCC)C/C=C\C/C=C\C/C=C\C/C=C\CCCC(N[C@H](C(=O)O)CO)=O is an N-acyl-amino acid resulting from the formal condensation of the carboxy group of arachidonic acid with the amino group of L-serine. It is an endocannabinoid-like lipid isolated from bovine brains. It has the role of vasodilator agent . It has the role of neuroprotective agent . It has the role of cannabinoid receptor agonist . It has the role of pro-angiogenic agent . It has the role of mammalian metabolite . Its functional parent is arachidonic acid . Its functional parent is L-serine . It is a conjugate acid of N-arachidonoyl-L-serine(1-) . It is also related to or classified as N-(fatty acyl)-L-alpha-amino acid  .
The molecule CCCCCC/C=C\\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O is a 1-acyl-sn-glycerol 3-phosphate in which the 1-acyl substituent is specified as palmitoleoyl. It derives from a palmitoleic acid. It is a conjugate acid of a 1-palmitoleoyl-sn-glycerol 3-phosphate(2-).
The molecule CC(C)=CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 CC(C)=CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 is an acyl-CoA(4-) that is the tetraanion of 3-methylbut-2-enoyl-CoA arising from deprotonation of phosphate and diphosphate functions. It has the role of human metabolite . It is also related to or classified as acyl-CoA(4-)  .
The molecule OC(CC/C=C\CC/C=C/C=C\C=C\[C@H](C/C=C\C/C=C\CC)OO)=O OC(CC/C=C\CC/C=C/C=C\C=C\[C@H](C/C=C\C/C=C\CC)OO)=O is A hydroperoxy fatty acid that is (4Z,8E,10Z,12E,16Z,19Z)-docosahexaenoic acid in which the hydroperoxy group is located at position 14S. An intermediate of specialised proresolving mediators. It has the role of human xenobiotic metabolite . It is a conjugate acid of (4Z,8E,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosahexaenoate . It is also related to or classified as hydroperoxydocosahexaenoic acid .
The molecule NC(=[NH2+])NCCCC(N)=O NC(=[NH2+])NCCCC(N)=O is A guanidinium ion arising from protonation of the imino NH of 4-guanidinobutanamide; major species at pH 7.3. It has the role of Saccharomyces cerevisiae metabolite . It is a conjugate acid of 4-guanidinobutanamide . It is also related to or classified as guanidinium ion  .
The molecule C(#N)N is a nitrile that is hydrogen cyanide in which the hydrogen has been replaced by an amino group. It has a role as an EC 1.2.1.3 [aldehyde dehydrogenase (NAD(+))] inhibitor. It is a nitrile and a one-carbon compound. It is a conjugate acid of a cyanamide(2-).
The molecule N1=C(C=C(C(=C1C(=O)OC)Cl)N)C2=CC=C(C(=C2F)OC)Cl N1=C(C=C(C(=C1C(=O)OC)Cl)N)C2=CC=C(C(=C2F)OC)Cl is A methyl ester resulting from the formal condensation of the carboxy group of halauxifen with methanol. It is a proherbicide used for the control of broad-leaved weeds in cereals and oilseed rape. It has the role of proherbicide . It has the role of synthetic auxin . Its functional parent is halauxifen .  It is also related to or classified as methyl ester  .     It is also related to or classified as monofluorobenzenes  . It is also related to or classified as monomethoxybenzene , aminopyridine , chloropyridine , biaryl , monochlorobenzenes .
The molecule C=C(Cl)Cl is a member of the class of chloroethenes that is ethene in which both of the hydrogens attached to one of the carbons are replaced by chlorines. It has a role as a mutagen, a carcinogenic agent and a mouse metabolite.
The molecule C=1(C(=NNC1)C)C C=1(C(=NNC1)C)C is A member of the class of pyrazoles that is 1H-pyrazole which is substituted by methyl groups at positions 3 and 4. It is also related to or classified as pyrazoles .
The molecule [Pt+3] [Pt+3] is platinum(3+). It is also related to or classified as monoatomic trication  . It is also related to or classified as platinum cation .
The molecule [Lr] [Lr] is lawrencium atom. It is also related to or classified as actinoid atom  . It is also related to or classified as d-block element atom .
The molecule [O-]P([O-])[O-] [O-]P([O-])[O-] is A trivalent inorganic anion obtained by removal of all three protons from phosphorous acid. It is also related to or classified as phosphite ion , trivalent inorganic anion .
The molecule O=C(C1=NC=C(NC(/C=C/CN(C)C)=O)C=C1)N[C@@]2(C)CCC[C@@H](NC3=NC=C(Cl)C(C4=CNC5=C4C=CC=C5)=N3)C2 O=C(C1=NC=C(NC(/C=C/CN(C)C)=O)C=C1)N[C@@]2(C)CCC[C@@H](NC3=NC=C(Cl)C(C4=CNC5=C4C=CC=C5)=N3)C2 is mevociclib (SY-1365) is a selective CDK7 inhibitor. Mevociclib exhibits anti-proliferative and apoptotic effects in solid tumor cell lines. Mevociclib possesses anti-tumor activity in hematological and multiple aggressive solid tumors. It is also related to or classified as organic molecular entity .
The molecule C1=C(O[C@H]([C@@H]([C@H]1O)OS(=O)(=O)O)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)NS(=O)(=O)O)O[C@H]3[C@@H]([C@H]([C@@H](O[C@H]3C(=O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)NS(=O)(=O)O)O[C@H]5[C@@H]([C@H]([C@@H](O[C@H]5C(=O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)NS(=O)(=O)O)O)COS(=O)(=O)O)OS(=O)(=O)O)O)COS(=O)(=O)O)OS(=O)(=O)O)O)COS(=O)(=O)O)C(=O)O is a heparin hexasaccharide consisting of 4-deoxy-2-O-sulfo-L-threo-hex-4-enopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-D-glucopyranosyl, 2-O-sulfo-L-idopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-D-glucopyranosyl, 2-O-sulfo-L-idopyranuronosyl, and 2-deoxy-6-O-sulfo-2-(sulfoamino)-D-glucopyranose joined in sequence by alpha-(1->4) linkages. Sequence: DUAp2S(1-4)-a-D-GlcNpS6S (1-4)-a-L-IdoAp2S(1-4)-a-D-GlcNpS6S(1-4)-a-L-IdoAp2S(1-4)-a-D-GlcNpS6S. It is a heparin hexasaccharide, an oligosaccharide sulfate and an amino hexasaccharide.
The molecule Oc1cccc(c1)[N+]([O-])=O Oc1cccc(c1)[N+]([O-])=O is A member of the class of 3-nitrophenols that is phenol in which one of the hydrogens that is meta to the hydroxy group has been replaced by a nitro group. It is also related to or classified as 3-nitrophenols .
The molecule F[C@@]12C(=O)CC3([C@@](O)(C)CCC3C1CCC=4[C@]2(CCC(C4)=O)C)C F[C@@]12C(=O)CC3([C@@](O)(C)CCC3C1CCC=4[C@]2(CCC(C4)=O)C)C is (1S,9aS,9bR)-9b-fluoro-1-hydroxy-1,9a,11a-trimethyl-2H,3H,3aH,3bH,4H,5H,8H,9H,11H-cyclopenta[a]phenanthrene-7,10-dione. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .
The molecule CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C=CC2=C(C=CC(=C2)OC)OC CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)C=CC2=C(C=CC(=C2)OC)OC is 3-(2,5-dimethoxyphenyl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-propenamide. Its functional parent is cinnamic acid . It is also related to or classified as olefinic compound .
The molecule [C@@H]([C@H]([C@@H](C(=O)[O-])O)O)([C@@H](C(=O)[O-])O)O is an idarate(2-) that is the conjugate base of D-idarate(1-). It is a conjugate base of a D-idarate(1-). It is an enantiomer of a L-idarate(2-).
The molecule O([C@@H]1[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2NC(=O)C)CO)[C@@H](O)[C@@H](O[C@@H]1CO)O)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3NC(=O)C)CO O([C@@H]1[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2NC(=O)C)CO)[C@@H](O)[C@@H](O[C@@H]1CO)O)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3NC(=O)C)CO is an amino trisacharide that is beta-D-galacopyranose in which the hydroxy groups at positions 3 and 4 have each been converted into the corresponding 2-acetamido-2-deoxy-beta-D-glucopyranosyl derivative. Its functional parent is beta-D-GlcpNAc-(1->4)-beta-D-Galp . Its functional parent is beta-D-GlcpNAc-(1->3)-beta-D-Galp . It is also related to or classified as acetamides , glucosamine oligosaccharide , amino trisaccharide .
The molecule OC(CC/C=C\C/C=C\C/C=C\C=C\[C@H](C/C=C\CCCCC)O)=O OC(CC/C=C\C/C=C\C/C=C\C=C\[C@H](C/C=C\CCCCC)O)=O is A hydroxydocosapentaenoic acid that is (4Z,7Z,10Z,12E,16Z)-docosapentaenoic acid in which the hydroxy group is located at the 14S-position. An intermediate of specialised proresolving mediators. It has the role of human xenobiotic metabolite . Its functional parent is (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoic acid . It is a conjugate acid of (4Z,7Z,10Z,12E,14S,16Z)-14-hydroxydocosapentaenoate . It is also related to or classified as secondary allylic alcohol  . It is also related to or classified as hydroxydocosapentaenoic acid .
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)C(=O)NC4=CC=C(C=C4)OC C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@H](C)CO)C)CN(C)C(=O)NC4=CC=C(C=C4)OC is N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-9-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1CCN2[C@@H](CN(C1)CC3CCOCC3)[C@H]([C@H]2CO)C4=CC=C(C=C4)C#CC5=CC=CC=C5F C1CCN2[C@@H](CN(C1)CC3CCOCC3)[C@H]([C@H]2CO)C4=CC=C(C=C4)C#CC5=CC=CC=C5F is [(8R,9R,10S)-9-[4-[2-(2-fluorophenyl)ethynyl]phenyl]-6-(4-oxanylmethyl)-1,6-diazabicyclo[6.2.0]decan-10-yl]methanol. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C1=NC(=C(N1)CCC(=O)[O-])[O-] is conjugate base of 3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoic acid. It has a role as a human metabolite. It is a conjugate base of a (S)-3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoic acid, a 3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoate(1-) and a 3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoic acid.
The molecule OC[C@@H](O)[C@H](O)CC(=O)C([O-])=O OC[C@@H](O)[C@H](O)CC(=O)C([O-])=O is the conjugate base of 2-dehydro-3-deoxy-D-galactonic acid; major species at pH 7.3. It is also related to or classified as carbohydrate acid anion .
The molecule F[C@@]12C=CC3([C@@](O)(C)CCC3C1CCC4C2(CCC(C4)=O)C)C F[C@@]12C=CC3([C@@](O)(C)CCC3C1CCC4C2(CCC(C4)=O)C)C is (1S,9bR)-9b-fluoro-1-hydroxy-1,9a,11a-trimethyl-2H,3H,3aH,3bH,4H,5H,5aH,6H,8H,9H-cyclopenta[a]phenanthren-7-one. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .
The molecule C[C@H]1[C@H]([C@H](C2=CC3=C(C(=C2C4=C(C(=C(C=C4[C@@H]1OC(=O)C)OC)OC)OC)OC)OCO3)OC(=O)C5=CC=CC=C5)C is a lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma It has a role as a metabolite and a plant metabolite. It is an acetate ester, a benzoate ester, an aromatic ether, a lignan, an organic heterotetracyclic compound and an oxacycle.
The molecule CC1NC(=S)N(C2CCS(=O)(=O)C2)C1=O CC1NC(=S)N(C2CCS(=O)(=O)C2)C1=O is 3-(1,1-dioxo-3-thiolanyl)-5-methyl-2-thioxo-4-imidazolidinone. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule COC1=CC(=CC=C1)C(O)=O COC1=CC(=CC=C1)C(O)=O is A methoxybenzoic acid that is benzoic acid substituted by a methoxy group at position 3. It has the role of flavouring agent . It has the role of human urinary metabolite . Its functional parent is 3-hydroxybenzoic acid . It is a conjugate acid of 3-methoxybenzoate . It is also related to or classified as methoxybenzoic acid .
The molecule [O-]C1=CC=CC2=CC=C[N+]([O-])=C12 [O-]C1=CC=CC2=CC=C[N+]([O-])=C12 is an organic anion arising from the deprotonation of the hydroxy group of 8-hydroxyquinoline N-oxide; major microspecies at pH 7.3. It is also related to or classified as organic anion .
The molecule OC[C@H]1OC(O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O OC[C@H]1OC(O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O is A D-glucosyl-D-mannose with the two components joined by an alpha-(1->2)-linkage. It is also related to or classified as D-glucosyl-D-mannose .
The molecule COC1=CC(=CC(=C1O)OC)/C=C/C(=O)NCCCCNCCCNC(=O)/C=C/C2=CC(=C(C(=C2)OC)O)OC is a secondary amino compound that is spermidine in which each of the primary amino groups has been mono-acylated by formal condensation with trans-sinapic acid. It has a role as a plant metabolite. It is a secondary amino compound, a polyphenol, an aromatic ether, an enamide and a secondary carboxamide. It derives from a spermidine and a trans-sinapic acid. It is a conjugate base of a N(1),N(8)-bis(sinapoyl)-spermidine(1+).
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)NCCSC(=O)CCC(=O)C4=CC=CC=C4C(=O)[O-])O is an acyl-CoA oxoanion that is the pentaanion of 4-(2-carboxyphenyl)-4-oxobutanoyl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions. It is a conjugate base of a 4-(2-carboxyphenyl)-4-oxobutanoyl-CoA.
The molecule NCCCC(=O)C(O)=O NCCCC(=O)C(O)=O is the 2-oxo-5-amino derivative of valeric acid. It has the role of human metabolite . Its functional parent is valeric acid . It is a conjugate acid of 5-amino-2-oxopentanoate . It is also related to or classified as 2-oxo monocarboxylic acid  . It is also related to or classified as delta-amino acid .
The molecule F[C@@]12C3(C(C(O)CC1C=4CCC(C4CC2O)(C)C)CC(=O)CC3)C F[C@@]12C3(C(C(O)CC1C=4CCC(C4CC2O)(C)C)CC(=O)CC3)C is (9bR)-9b-fluoro-5,10-dihydroxy-1,1,9a-trimethyl-2H,3H,3bH,4H,5H,5aH,6H,8H,9H,10H,11H-cyclopenta[a]phenanthren-7-one. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCCCCCCCCCCCCCCC(=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 a polyunsaturated fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (19Z,22Z,25Z,28Z,31Z)-tetratriacontapentaenoyl-CoA. It is a polyunsaturated fatty acyl-CoA(4-), a very long-chain acyl-CoA(4-) and a 3-substituted propionyl-CoA(4-). It is a conjugate base of a (19Z,22Z,25Z,28Z,31Z)-tetratriacontapentaenoyl-CoA.
The molecule O1C2(C3(O)C(O)(C(=O)C(C2CC1=O)(C)C)CC=4C5=C3C(OC(C5(CCC4)C)C=6C=COC6)=O)C O1C2(C3(O)C(O)(C(=O)C(C2CC1=O)(C)C)CC=4C5=C3C(OC(C5(CCC4)C)C=6C=COC6)=O)C is Dukunolide D. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C=1(C=C(C(=C(C1)Br)O)O)Br C=1(C=C(C(=C(C1)Br)O)O)Br is A member of the class of catechols carrying two bromo substituents at positions 3 and 5. It has the role of mouse metabolite . It has the role of bacterial xenobiotic metabolite . It has the role of marine xenobiotic metabolite . It has the role of algal metabolite . It is also related to or classified as catechols  . It is also related to or classified as dibromobenzene  .
The molecule CCC1=CSC(=N1)N2[C@@H]([C@H]([C@H]2C#N)C3=CC=C(C=C3)C4=CCCC4)CO CCC1=CSC(=N1)N2[C@@H]([C@H]([C@H]2C#N)C3=CC=C(C=C3)C4=CCCC4)CO is (2S,3S,4S)-3-[4-(1-cyclopentenyl)phenyl]-1-(4-ethyl-2-thiazolyl)-4-(hydroxymethyl)-2-azetidinecarbonitrile. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule O([C@@H]1OC=C([C@@]2([C@]1(C(=C[C@@H]2O)COC(=O)C)[H])[H])C(O)=O)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO O([C@@H]1OC=C([C@@]2([C@]1(C(=C[C@@H]2O)COC(=O)C)[H])[H])C(O)=O)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO is Asperulosidic acid. It is also related to or classified as glycoside  . It is also related to or classified as iridoid monoterpenoid .
The molecule N[C@@H](COP(O)(=O)OCCNC(=N)NP(O)(O)=O)C(O)=O N[C@@H](COP(O)(=O)OCCNC(=N)NP(O)(O)=O)C(O)=O is A phosphoramide consisting of L-lombricine having a phospho group attached to the guanidine. Its functional parent is L-lombricine . It is a conjugate acid of N-phosphonato-L-lombricine(2-) . It is also related to or classified as phosphoramide .
The molecule O=C1C2=C(O)C=C(OC)C(=C2[C@@H](OC)[C@@H]3[C@@H]1CO[C@](C3)(OC)C)O O=C1C2=C(O)C=C(OC)C(=C2[C@@H](OC)[C@@H]3[C@@H]1CO[C@](C3)(OC)C)O is 3,5-dimethoxydihydrofusarubin D. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
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]2OC[C@@H]3[C@H]([C@@H]([C@@H]([C@@H](O3)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)NC(=O)C)O[C@@H]5[C@H](OC([C@@H]([C@H]5O)NC(=O)C)O)CO)CO)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)CO)O)O)CO)O)O is a branched amino heptasaccharide consisting of a D-GlcNAc residue at the reducing end with a 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 an amino heptasaccharide and a glucosamine oligosaccharide.
The molecule [H]OS(=O)(=O)S([O-])(=O)=O [H]OS(=O)(=O)S([O-])(=O)=O is dithionate(1-). It is a conjugate acid of dithionate(2-) . It is also related to or classified as sulfur oxoanion .
The molecule O(C1C(O)C(N(C)C(=O)CN)C(O)C(O)C1N)C2OC(CCC2N)C(N)C O(C1C(O)C(N(C)C(=O)CN)C(O)C(O)C1N)C2OC(CCC2N)C(N)C is 3-O-Demethylfortimicin A. It is also related to or classified as glycoside  . It is also related to or classified as amino cyclitol .
The molecule S(=O)(=O)(OC1=C(C2=C(OC(COC3=CC=C(CC4SC(=O)NC4=O)C=C3)(C)CC2)C(=C1C)C)C)O S(=O)(=O)(OC1=C(C2=C(OC(COC3=CC=C(CC4SC(=O)NC4=O)C=C3)(C)CC2)C(=C1C)C)C)O is [2-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]-2,5,7,8-tetramethyl-3,4-dihydrochromen-6-yl] hydrogen sulfate. It is also related to or classified as aromatic ether , thiazolidinone .
The molecule C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3([C@@H]([C@@H]([C@@]2(C[C@@H](C1)O)[H])O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C([O-])=O)O)[H])(CC[C@@]4([C@@H](CCC(=O)[O-])C)[H])[H])C)[H])C C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3([C@@H]([C@@H]([C@@]2(C[C@@H](C1)O)[H])O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C([O-])=O)O)[H])(CC[C@@]4([C@@H](CCC(=O)[O-])C)[H])[H])C)[H])C is A steroid glucuronide anion that is the conjugate base of hyocholic acid 6-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic acid functions; major species at pH 7.3.  It is also related to or classified as dicarboxylic acid dianion  . It is also related to or classified as beta-D-glucosiduronate  . It is also related to or classified as steroid glucosiduronic acid anion .
The molecule C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)CO)O)O)O)O is a trisaccharide that consists of sucrose having an additional fructosyl residue attached to the fructose residue via a beta-(2->6)-linkage. It derives from a sucrose.
The molecule C1[C@@H]2[C@@]([C@@]3([C@@]([C@H]1O)(C([C@@H](C4=C(CC[C@](C4(C)C)([C@H]3O)O)C)O)=O)C)[H])(O)CO2 C1[C@@H]2[C@@]([C@@]3([C@@]([C@H]1O)(C([C@@H](C4=C(CC[C@](C4(C)C)([C@H]3O)O)C)O)=O)C)[H])(O)CO2 is 1beta,2alpha,4alpha,7beta,10beta-pentahydroxy-5beta,20-epoxytax-11-en-9-one. Its functional parent is baccatin III . It is also related to or classified as secondary alpha-hydroxy ketone  . It is also related to or classified as oxetanes , tetracyclic diterpenoid .
The molecule C=1(C=C(C(=C(C1)Br)O)O)C([O-])=O C=1(C=C(C(=C(C1)Br)O)O)C([O-])=O is A dihydroxybenzoate that is the conjugate base of 3-bromo-4,5-dihydroxybenzoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as dihydroxybenzoate  .
The molecule C[C@H]1CC[C@@H]([C@@H]1C=O)C(=C)C=O is a dialdehyde that is cyclopentanecarbaldehyde substituted by a methyl group at position 2 and a 3-oxo-prop-1-en-2yl group at position 5. It has been found to occur in pheromones of insects such as aphids. It has a role as an animal metabolite, a plant metabolite and a volatile oil component. It is a dialdehyde, an olefinic compound and an iridoid monoterpenoid.
The molecule C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)OC is a terminal acetylenic compound that is (17alpha)-17-ethynylestra-1(10),2,4-triene substituted by a methoxy group at position 3 and a hydroxy group at position 17. It has a role as a prodrug and a xenoestrogen. It is a 17beta-hydroxy steroid, a terminal acetylenic compound and an aromatic ether. It derives from a 17beta-estradiol.
The molecule [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)CC4=CC(=C(C=C4)O)O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)CC4=CC(=C(C=C4)O)O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O is tetraanion of 3,4-dihydroxyphenylacetyl-CoA arising from deprotonation of phosphate and diphosphate functions; major microspecies at pH 7.3. Its functional parent is phenylacetyl-CoA(4-) . It is also related to or classified as acyl-CoA(4-)  .
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)NCCSC(=O)C4CCCCC4)O is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of cyclohexane-1-carboxylic acid. It derives from a cyclohexanecarboxylic acid. It is a conjugate acid of a cyclohexane-1-carbonyl-CoA(4-).
The molecule CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCC CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCC is A glycophytoceramide comprising (2S,3S,4R)-2-aminononane-1,3,4-triol having an alpha-D-galctopyranosyl residue at the O-1 position and an tetracosanoyl group attached to the nitrogen. It has the role of epitope . Its functional parent is alpha-D-galactose . It is also related to or classified as glycophytoceramide .
The molecule C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O)O is a trisaccharide consisting of two beta-D-galactopyranose residues and a D-glucopyranose residue joined in sequence by (1->3) and (1->4) glycosidic bonds. It derives from a beta-(1->3)-galactobiose and a lactose.
The molecule CC1=CCC2CC1C2(C)C is a pinene that is bicyclo[3.1.1]hept-2-ene substituted by methyl groups at positions 2, 6 and 6 respectively. It has a role as a plant metabolite.