anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C1[C@@H](O)C[C@]2([C@@](C1)(C)[C@]3(C[C@@H]([C@]4([C@]([C@]3([H])[C@@H](C2)O)(CC[C@]4([H])[C@@H](CCCC(C(=O)O)C)C)[H])C)O)[H])[H] C1[C@@H](O)C[C@]2([C@@](C1)(C)[C@]3(C[C@@H]([C@]4([C@]([C@]3([H])[C@@H](C2)O)(CC[C@]4([H])[C@@H](CCCC(C(=O)O)C)C)[H])C)O)[H])[H] is 3alpha,7alpha,12alpha-Trihydroxy-5alpha-cholest-23-en-26-oic acid. 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 12alpha-hydroxy steroid .
The molecule C1Cc2ccccc2C1 C1Cc2ccccc2C1 is an ortho-fused bicyclic hydrocarbon consisting of a benzene ring fused to a cyclopentane ring; a high-boiling (176 (o)C) colourless liquid. It is also related to or classified as ortho-fused bicyclic hydrocarbon , indanes .
The molecule C/C=C/C1=CC2=CC(=O)[C@@](C(=O)[C@]2([C@H](O1)O)O)(C)OC(=O)C3=C(C(=C(C=C3O)O)O)C is an azaphilone that is 1H-isochromene-6,8(7H,8aH)-dione substituted by a prop-1-en-1-yl group at position 3, hydroxy groups at positions 1 and 8a, a methyl group at position 7 and a (3,4,6-trihydroxy-2-methylbenzoyl)oxy group at position 7. It has been isolated from Penicillium purpurogenum. It has a role as an antiviral agent and a Penicillium metabolite. It is an azaphilone, a benzoate ester, an enone, a member of isochromenes, a polyketide and a tertiary alpha-hydroxy ketone.
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]3OS(=O)(=O)O)NS(=O)(=O)O)O)COS(=O)(=O)O)O)O)COS(=O)(=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)C(=O)O)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COS(=O)(=O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@@H](O6)C(=O)O)O[C@@H]7[C@@H]([C@H]([C@@H]([C@H](O7)COS(=O)(=O)O)O[C@H]8[C@@H]([C@H](C=C(O8)C(=O)O)O)OS(=O)(=O)O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O)NS(=O)(=O)O)O)O)O is a heparin octasaccharide consisting of 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl, 2-O-sulfo-alpha-L-idopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl, alpha-L-idopyranuronosyl, 2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranosyl, beta-D-glucopyranuronosyl, and 2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose units joined in sequence by (1->4) linkages. Sequence: DUA2S-GlcNS6S-IdoA2S-GlcNS6S-IdoA-GlcNAc6S-GlcA-GlcNS3S6S. It is a heparin octasaccharide, an oligosaccharide sulfate and an amino octasaccharide.
The molecule C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O is a 2'-deoxyribonucleoside 5'-triphosphate(4-) resulting from deprotonation of the triphosphate OH groups of 2'-deoxyuridine-5'-triphosphate (dUTP). It is a conjugate base of a dUTP(3-).
The molecule [H][C@@]12Cc3cn(C)c4cccc(c34)[C@]1(C[C@@H](COC(=O)c1cncc(Br)c1)CN2C)OC [H][C@@]12Cc3cn(C)c4cccc(c34)[C@]1(C[C@@H](COC(=O)c1cncc(Br)c1)CN2C)OC is Nicergoline. It is also related to or classified as organonitrogen heterocyclic compound , organic heterotetracyclic compound .
The molecule [Cl-].[N+]1(=C(SC2=C1C=C(C(C)=C2)C)/C=C(/C=C/3\N(C=4C=CC(/C=C/C5=CC=CC=C5)=CC4S3)CC)\CC)CC [Cl-].[N+]1(=C(SC2=C1C=C(C(C)=C2)C)/C=C(/C=C/3\N(C=4C=CC(/C=C/C5=CC=CC=C5)=CC4S3)CC)\CC)CC is (2E)-3-Ethyl-2-[(2Z)-2-[[3-ethyl-6-[(E)-2-phenylethenyl]-1,3-benzothiazol-3-ium-2-yl]methylidene]butylidene]-5,6-dimethyl-1,3-benzothiazole;chloride. It has the role of anticoronaviral agent . It is also related to or classified as stilbenoid .
The molecule C=1C2=C(C=CC=C2)C(=CC1)[C@H](NC(C=3C(=CC=C(C3)CNC)C)=O)C C=1C2=C(C=CC=C2)C(=CC1)[C@H](NC(C=3C(=CC=C(C3)CNC)C)=O)C is 2-Methyl-5-(methylaminomethyl)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide. It has the role of anticoronaviral agent . It is also related to or classified as naphthalenes .
The molecule CC/C=C\\C/C=C\\C=C\\C(CCCCCCCC(=O)[O-])OO is the monocarboxylic acid anion obtained by removal of a proton from the carboxylic acid group of (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid. It is a conjugate base of a (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid.
The molecule C1[C@H]([C@@H]([C@@H]([C@H]1O)/C=C/[C@@H](CCCC([O-])=O)O)C/C=C\CCCCC)O C1[C@H]([C@@H]([C@@H]([C@H]1O)/C=C/[C@@H](CCCC([O-])=O)O)C/C=C\CCCCC)O is major microspecies at pH 7.3. It is also related to or classified as F2-isoprostane , prostaglandin carboxylic acid anion .
The molecule [H][C@]12CC[C@]3(C)[C@]([H])(CC[C@@]3(O)C1=CC(=O)[C@]1([H])C[C@@H](O)[C@@H](O)C[C@]21C)[C@@](C)(O)[C@H](O)C[C@@H](C)C(C)CO [H][C@]12CC[C@]3(C)[C@]([H])(CC[C@@]3(O)C1=CC(=O)[C@]1([H])C[C@@H](O)[C@@H](O)C[C@]21C)[C@@](C)(O)[C@H](O)C[C@@H](C)C(C)CO is makisterone B.  It is also related to or classified as 3beta-hydroxy steroid  . It is also related to or classified as phytoecdysteroid , 26-hydroxy steroid , 20-hydroxy steroid , 2beta-hydroxy steroid , 14alpha-hydroxy steroid , 22-hydroxy steroid , 6-oxo steroid .
The molecule C1CCOCC1 C1CCOCC1 is A saturated organic heteromonocyclic parent that is cyclohexane in which one of the carbon atoms has been replaced by an oxygen atom. It is also related to or classified as saturated organic heteromonocyclic parent , oxanes .
The molecule [Hg](C#[N+][O-])C#[N+][O-] [Hg](C#[N+][O-])C#[N+][O-] is an organomercury compound that is the bis(N-oxide) of mercury(II) cyanide. It is a highly shock- and friction-sensitive explosive. It has the role of explosive . It is also related to or classified as organomercury compound .
The molecule NC(Cc1cc(O)c(O)cc1O)C(O)=O NC(Cc1cc(O)c(O)cc1O)C(O)=O is 6-hydroxydopa. Its functional parent is dopa . It is also related to or classified as non-proteinogenic alpha-amino acid .
The molecule [H][C@@]1(C)C[C@@H](O)[C@]2([H])[C@]1([H])C[C@@]1(C)CC[C@H](C(C)C)\C1=C\C[C@]2(C)O [H][C@@]1(C)C[C@@H](O)[C@]2([H])[C@]1([H])C[C@@]1(C)CC[C@H](C(C)C)\C1=C\C[C@]2(C)O is A carbotricyclic compound that is cyclooctatin in which the hydroxymethyl substituent has been reduced to the corresponding methyl group. It is the biosynthetic precursor of cyclooctatin. Its functional parent is cyclooctatin . It is also related to or classified as diterpenoid  . It is also related to or classified as tertiary alcohol  . It is also related to or classified as secondary alcohol  . It is also related to or classified as carbotricyclic compound .
The molecule COc1ccc(cc1)C1C(=O)c2ccccc2C1=O COc1ccc(cc1)C1C(=O)c2ccccc2C1=O is A cyclic beta-diketone consisting of indane-1,3-dione having a 4-methoxyphenyl substituent at the 4-position. It has the role of anticoagulant . It has the role of vitamin K antagonist . It is also related to or classified as beta-diketone , aromatic ketone .
The molecule CC/C=C\\C[C@@H](C(/C=C/C=C/C=C\\C/C=C\\CCCCCC(=O)O)O)O is a dihydroxydocosapentaenoic acid (DiHDPE) that is (7Z,10Z,13E,14E,19Z)-docosapentaenoic acid carrying two hydroxy substituents at the 16 and 17-S positions. It is an intermediate of specialised proresolving mediators. It has a role as a human xenobiotic metabolite and a specialised pro-resolving mediator. It is a conjugate acid of a 16,17(S)-dihydroxy-(7Z,10Z,13E,14E,19Z)-docosapentaenoate.
The molecule COC1=CC2=C(C=C1)C3=NC=CC4=C3C(=C(C(=C4OC)OC)OC)C2=O is an isoquinoline alkaloid that is dibenzo[de,h]quinolin-7-one carrying four methoxy substituents at positions 4, 5, 6 and 9. It has a role as a plant metabolite, a platelet aggregation inhibitor and an antineoplastic agent. It is an isoquinoline alkaloid, a polyether, an aromatic ether, a cyclic ketone, an aromatic ketone and an organic heterotetracyclic compound.
The molecule CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I.O.O is the dihydrate form of amidotrizoic acid. Both the dihydrate and the anhydrous form are used as X-ray contrast media. It has a role as a radioopaque medium. It contains an amidotrizoic acid.
The molecule [C@H]12N3C=4N=CN=C(C4N=C3[C@H]([C@]([C@H](C1)O)(O2)[H])O)N [C@H]12N3C=4N=CN=C(C4N=C3[C@H]([C@]([C@H](C1)O)(O2)[H])O)N is an organic heterotetracyclic compound obtained by intramolecular formation of a C-C bond between positions 8 and 5' of 2'-deoxyadenosine. It has the role of Mycoplasma genitalium metabolite . Its functional parent is 2'-deoxyadenosine . It is also related to or classified as N-glycosyl compound  . It is also related to or classified as diol  . It is also related to or classified as aromatic amine , bridged compound , organic heterotetracyclic compound .
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)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)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)C(=O)CC3=CC=CC=C3 is N-[[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-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 C[NH+]1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 C[NH+]1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 is an organic cation that is the conjugate acid of tropisetron, obtained by protonation of the tertiary amino group. It is a conjugate acid of tropisetron . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule O=C(ON1C(CC(OC(=O)C)CC1(C)C)(C)C)C2=CC=C(N)C=C2 O=C(ON1C(CC(OC(=O)C)CC1(C)C)(C)C)C2=CC=C(N)C=C2 is Benzoic acid, 4-amino-, 4-acetoxy-2,2,6,6-tetramethyl-1-piperidinyl ester. It is also related to or classified as aminobenzoic acid .
The molecule CNC(=O)CN(CCN(CCN(CC(=O)NC)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3] is a non-ionic gadolinium chelate having a macrocyclic triamine framework. It is used as a paramagnetic contrast agent in magnetic resonance imaging (MRI). It has a role as a MRI contrast agent.
The molecule [C@H]12N3C=4N=CN=C(C4N=C3[C@H]([C@]([C@H](C1)O)(O2)[H])OP(O)(O)=O)N [C@H]12N3C=4N=CN=C(C4N=C3[C@H]([C@]([C@H](C1)O)(O2)[H])OP(O)(O)=O)N is an organic heterotetracyclic compound obtained by intramolecular formation of a C-C bond between positions 8 and 5' of dAMP. It has the role of Mycoplasma genitalium metabolite . Its functional parent is 2'-deoxyadenosine 5'-monophosphate . It is also related to or classified as N-glycosyl compound  .  It is also related to or classified as secondary alcohol  .   It is also related to or classified as phosphate monoester  . It is also related to or classified as aromatic amine , bridged compound , organic heterotetracyclic compound .
The molecule CC(C)(COP(=O)(O)OC[C@@H](C(=O)O)N)[C@H](C(=O)NCCC(=O)NCCS)O is a serine derivative in which L-serine is substituted on oxygen by a pantetheine 4'-phosphate group. It is a non-proteinogenic L-alpha-amino acid and a L-serine derivative. It contains a pantetheine 4'-phosphate group.
The molecule [C@@H]1([C@@]2([C@]([C@@H](C(=C1CO)/C=C/C=C/C=C/CCCCC)O)(O2)[H])[H])O [C@@H]1([C@@]2([C@]([C@@H](C(=C1CO)/C=C/C=C/C=C/CCCCC)O)(O2)[H])[H])O is trichoxide. It is also related to or classified as primary allylic alcohol  .  It is also related to or classified as epoxide  . It is also related to or classified as aromatic primary alcohol  . It is also related to or classified as hydroxybenzyl alcohol , olefinic compound .
The molecule COC1=CC(=C2C(=C1)C=C3C[C@H](OC(=O)C3=C2O)C[C@@H](C[C@@H](CCCCCO)O)O)O is a naphthopyran that is 3,4-dihydronaphtho[2,3-c]pyran-1-one which is substituted by a (2R,4R)-2,4,9-trihydroxynonyl group at position 3 and a methoxy group at position 7. Published in Acta Pharm. Sin. B, 2013, 3, 163-166. See also J. Antibiot., 2011, 64, 503-508. It is an aromatic ether, a member of phenols, a delta-lactone, a secondary alcohol, a primary alcohol and a naphtho-alpha-pyrone.
The molecule C=1C=CC=CC1/C=C(/C=C/C=C/C=C/C=C/C(=C(/C(=O)OC)\C)/O)\C C=1C=CC=CC1/C=C(/C=C/C=C/C=C/C=C/C(=C(/C(=O)OC)\C)/O)\C is A methyl ester derived from (2Z,4E,6E,8E,10E,12E)-3-hydroxy-2,12-dimethyl-13-phenyltrideca-2,4,6,8,10,12-hexaenoic acid. Originally isolated from Aspergillus niger. It has the role of Aspergillus metabolite . It is also related to or classified as methyl ester  . It is also related to or classified as enol  . It is also related to or classified as enoate ester  .
The molecule S1[C@@]23N(C(=O)[C@]4(SC)CC=5[C@H](N4C2=O)[C@@H](O)C=CC5)[C@@H]6[C@H]([C@H]1C[C@H](O)[C@@H]6C3)O S1[C@@]23N(C(=O)[C@]4(SC)CC=5[C@H](N4C2=O)[C@@H](O)C=CC5)[C@@H]6[C@H]([C@H]1C[C@H](O)[C@@H]6C3)O is Eutypellazine B. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C[C@@H](CCC=C(C)C)[C@@H]1CC[C@]2([C@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)C is a tirucallane triterpenoid that is tirucalla-7,24-diene substituted by a beta-hydroxy group at position 3. It has a role as a plant metabolite.
The molecule CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCC is a phosphatidylcholine 34:1 in which the acyl groups specified at positions 1 and 2 are octadecanoyl and (9Z)-hexadecenoyl respectively. It derives from a palmitoleic acid and an octadecanoic acid.
The molecule [NH3+]CCCCC([NH3+])C([O-])=O [NH3+]CCCCC([NH3+])C([O-])=O is an alpha-amino-acid cation that is the conjugate acid of lysine, having two cationic amino groups and an anionic carboxy group. It is a conjugate acid of lysine . It is also related to or classified as alpha-amino-acid cation .
The molecule [H][C@]12C[C@@]3(C)CC[C@]4(C)CC[C@H](C(C)C)[C@@]4([H])[C@]3([H])[C@@]1([H])C[C@]1(C)CC[C@H]2C1=C [H][C@]12C[C@@]3(C)CC[C@]4(C)CC[C@H](C(C)C)[C@@]4([H])[C@]3([H])[C@@]1([H])C[C@]1(C)CC[C@H]2C1=C is A sesterterpene produced in the bacterium Streptomyces subrutilus. It has the role of bacterial metabolite .  It is also related to or classified as sesterterpene  . It is also related to or classified as carbopentacyclic compound , polycyclic olefin .
The molecule O\C(=C\C=C/C(=O)C=C)C([O-])=O O\C(=C\C=C/C(=O)C=C)C([O-])=O is (2E,4Z)-2-hydroxy-6-oxoocta-2,4,7-trienoate. Its functional parent is octa-2,4,7-trienoate . It is also related to or classified as 6-oxo monocarboxylic acid anion , hydroxy monocarboxylic acid anion .
The molecule CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OP(=O)([O-])[O-])OC(=O)CCCCCCC is a 1,2-diacyl-sn-glycerol 3-diphosphate(3-) arising from deprotonation of the diphosphate OH groups of 1,2-dioctanoyl-sn-glycerol 3-diphosphate. It is a conjugate base of a 1,2-dioctanoyl-sn-glycerol 3-diphosphate.
The molecule CC[NH3+].CC(C)(C)C(=O)[O-] is an organoammonium salt resulting from the mixing of equimolar amounts of pivalic acid and ethylamine. It contains an ethylaminium and a pivalate.
The molecule Oc1c[nH]c(=O)[nH]c1=O Oc1c[nH]c(=O)[nH]c1=O is 5-hydroxyuracil. Its functional parent is uracil . It is also related to or classified as hydroxypyrimidine .
The molecule Cl.Cl.[H][C@]12SCC(CSc3nnnn3CCN(C)C)=C(N1C(=O)[C@@]2([H])NC(=O)Cc1csc(N)n1)C(O)=O Cl.Cl.[H][C@]12SCC(CSc3nnnn3CCN(C)C)=C(N1C(=O)[C@@]2([H])NC(=O)Cc1csc(N)n1)C(O)=O is the dihydrochloride salt of cefotiam. It has the role of antibacterial drug . It is also related to or classified as hydrochloride .
The molecule C1=CC=C(C(=C1)Cl)Cl is a dichlorobenzene carrying chloro substituents at positions 1 and 2. It has a role as a hepatotoxic agent and a metabolite.
The molecule O=C(O)C(CC(=O)OC(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CC(O)CCCCCC(O)C(O)CN)C)C(CCCC)C)CC(=O)O O=C(O)C(CC(=O)OC(C(OC(=O)CC(C(=O)O)CC(=O)O)CC(CC(O)CCCCCC(O)C(O)CN)C)C(CCCC)C)CC(=O)O is 2-[2-[19-amino-6-(3,4-dicarboxybutanoyloxy)-11,17,18-trihydroxy-5,9-dimethylnonadecan-7-yl]oxy-2-oxoethyl]butanedioic acid. Its functional parent is pentacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule C/C(=C\\C=C\\C=C(/C)\\C=C\\C=C(/C)\\C=C=C1[C@](C[C@H](CC1(C)C)O)(C)O)/C=C/C=C(/C)\\C=C\\[C@]23[C@](O2)(C[C@H](CC3(C)C)O)C is a neoxanthin in which all of the double bonds have trans geometry except for that at the 9' position, which is cis. It is a 9-cis-epoxycarotenoid and a neoxanthin.
The molecule O1C(CCCC(=O)CCCC=CC2=C(C1=O)C(O)=CC(O)=C2)C O1C(CCCC(=O)CCCC=CC2=C(C1=O)C(O)=CC(O)=C2)C is (S,E)-Zearalenone. It is also related to or classified as macrolide  . It is also related to or classified as resorcinols .
The molecule O=C1N2[C@H](C(=O)O[C@H]([C@@H](CCCC)C)CCCC(CCC(C=C1)C)OC)CCC2 O=C1N2[C@H](C(=O)O[C@H]([C@@H](CCCC)C)CCCC(CCC(C=C1)C)OC)CCC2 is Tricholide A. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .
The molecule C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)[C@@H](C)CO)C)CNC C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=C(C=C3)F)[C@@H](C)CO)C)CNC is 4-fluoro-N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]benzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O=C1N2[C@H](C(=O)O[C@H]([C@@H](CCCC)C)CCCC(CCC(C=C1C)C)OC)CCC2 O=C1N2[C@H](C(=O)O[C@H]([C@@H](CCCC)C)CCCC(CCC(C=C1C)C)OC)CCC2 is Tricholide B. It is also related to or classified as lactam  . It is also related to or classified as macrolide  .
The molecule C[N+](C)(C)CC(CC(=O)[O-])OC(=O)CCCCCC(=O)O is an O-acylcarnitine in which the acyl group specified is pimelyl. It has a role as a metabolite. It derives from a pimelic acid.
The molecule C=1(C2=C(C=C(C1)OC)C=C3C(=C2O)C(C4(C(C3)(CC(=C(C4=O)C(C)=O)[O-])O)O)=O)O C=1(C2=C(C=C(C1)OC)C=C3C(=C2O)C(C4(C(C3)(CC(=C(C4=O)C(C)=O)[O-])O)O)=O)O is an enolate resulting from the deprotonation of the hydroxy group of the enol moiety of TAN-1612. It is also related to or classified as enolate  .
The molecule [NH3+]CCOP([O-])(=O)OC[C@H]([NH3+])C([O-])=O [NH3+]CCOP([O-])(=O)OC[C@H]([NH3+])C([O-])=O is zwitterionic form of L-serine phosphoethanolamine having anionic phosphate and carboxy groups and both amino groups protonated; major species at pH 7.3. It is also related to or classified as amino-acid zwitterion .
The molecule ONC(=O)COP(O)(O)=O ONC(=O)COP(O)(O)=O is the hydroxamate of phosphoglycolic acid. It has the role of EC 5.3.1.1 (triose-phosphate isomerase) inhibitor . Its functional parent is glycolic acid . It is also related to or classified as hydroxamic acid , amidoalkyl phosphate .
The molecule C=1(/C=C/2\NC(=O)C(=C2CC)C)NC(=C(C1C)CCC(=O)[O-])/C=C/3\N=C(/C=C/4\NC(C(=C4C)CC)=O)C(=C3CCC(=O)[O-])C C=1(/C=C/2\NC(=O)C(=C2CC)C)NC(=C(C1C)CCC(=O)[O-])/C=C/3\N=C(/C=C/4\NC(C(=C4C)CC)=O)C(=C3CCC(=O)[O-])C is dicarboxylate anion of mesobiliverdin; 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 linear tetrapyrrole anion .
The molecule [C@H]12N3C=4N=C(NC(C4N=C3[C@H]([C@]([C@H](C1)O)(O2)[H])O)=O)N [C@H]12N3C=4N=C(NC(C4N=C3[C@H]([C@]([C@H](C1)O)(O2)[H])O)=O)N is an organic heterotetracyclic compound obtained by intramolecular formation of a C-C bond between positions 8 and 5' of 2'-deoxyguanosine. It has the role of Mycoplasma genitalium metabolite . Its functional parent is 2'-deoxyguanosine . It is also related to or classified as N-glycosyl compound  . It is also related to or classified as diol  . It is also related to or classified as aromatic amine , bridged compound , organic heterotetracyclic compound .
The molecule S1[C@@]23N(C(=O)[C@]4(SC)CC=5[C@H](N4C2=O)[C@@H](O)C=CC5)[C@@H]6[C@H]([C@H]1CC(=O)[C@@H]6C3)O S1[C@@]23N(C(=O)[C@]4(SC)CC=5[C@H](N4C2=O)[C@@H](O)C=CC5)[C@@H]6[C@H]([C@H]1CC(=O)[C@@H]6C3)O is Eutypellazine A. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C([O-])=O [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C([O-])=O is the conjugate base of 3alpha-hydroxyglycyrrhetinic acid; major species at pH 7.3. It is also related to or classified as 6-oxo monocarboxylic acid anion .
The molecule C=1(C2=C(C=C(C1)OC)C=C3C(=C2O)C(C4(C(C3)(CC(=C(C4=O)C(C)=O)O)O)O)=O)O C=1(C2=C(C=C(C1)OC)C=C3C(=C2O)C(C4(C(C3)(CC(=C(C4=O)C(C)=O)O)O)O)=O)O is A member of the class of tetracyclines with formula C21H18O9, originally isolated from Penicillium claviforme. It has the role of neuropeptide Y receptor antagonist . It has the role of neurokinin-1 receptor antagonist . It has the role of Penicillium metabolite . It is a conjugate acid of TAN-1612(1-) . It is also related to or classified as tertiary alpha-hydroxy ketone  .  It is also related to or classified as enol  . 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 tetracyclines , aromatic ether , cyclic ketone , methyl ketone .
The molecule C/C=C\\CCCCCCCCCCCCC(=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 hexadecenoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (14Z)-hexadecenoic acid. It is a conjugate acid of a (14Z)-hexadecenoyl-CoA(4-).
The molecule C[C@@H](C(=O)N[C@@H](C[C@@H]1CCC(=O)[C@H]2[C@@H]1O2)C(=O)[O-])[NH3+] is a peptide zwitterion obtained by transfer of a proton from the carboxy to the amino group of bacilysin; major species at pH 7.3. It is a tautomer of a bacilysin.
The molecule C(=C\SC)(\C1=C(OCCCCC)C=CC=C1)/N2C=CN=C2.Cl C(=C\SC)(\C1=C(OCCCCC)C=CC=C1)/N2C=CN=C2.Cl is A hydrochloride resulting from the formal reaction of equimolar amounts of neticonazole and hydrogen chloride. An inhibitor of P450-dependent C-14alpha-demethylation of lanosterol (preventing conversion to ergosterol and inhibiting cell wall synthesis in fungi), it is used in Japan as an antifungal drug for the treatment of superficial skin infections. It has the role of EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor . It has the role of antifungal drug . It is also related to or classified as hydrochloride , imidazole antifungal drug , conazole antifungal drug .
The molecule C(=C/CCCCCCCCC)\CC\C=C\[C@@H](O)[C@@H](NC(=O)CCCCCCCCCCCCCCCCCCCCCCC)CO C(=C/CCCCCCCCC)\CC\C=C\[C@@H](O)[C@@H](NC(=O)CCCCCCCCCCCCCCCCCCCCCCC)CO is (4E,8E)-N-tetracosanoylsphinga-4,8-dienine. It is also related to or classified as N-(very-long-chain fatty acyl)-sphingoid base  . It is also related to or classified as N-acyl-sphinga-4,8-dienine  .
The molecule OC(C/C=C\CCCCC)\C=C/C=C\C/C=C\CCCC(O)=O OC(C/C=C\CCCCC)\C=C/C=C\C/C=C\CCCC(O)=O is 12-hydroxy-5z,8z,10z,14z-eicosatetraenoic acid. It is also related to or classified as hydroxy fatty acid , polyunsaturated fatty acid .
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](O2)O[C@H]3[C@@H]([C@H](O[C@@H]3OC[C@@H]4[C@H]([C@@H]([C@H](O4)OC[C@@H]5[C@H]([C@@H](C(O5)O)O)O)O)O[C@@H]6[C@H]([C@@H]([C@H](O6)CO)O)O[C@H]7[C@H]([C@@H]([C@H](O7)CO)O)O)CO)O)O)O)O)O)O)O is a branched heptasaccharide derivative comprising one mannopyranose and six D-arabinofuranose units, in an assembly consisting of two arabinose residues linked alpha(1->5), with beta-arabinosyl-(1->2)-alpha-arabinosyl and alpha-mannosyl-(1->5)-beta-arabinosyl-(1->2)-alpha-arabinosyl units linked to respectively the 3- and 5-positions of the arabinose residue distal from the reducing-end residue.
The molecule C1[C@@H]([C@H]([C@H]([C@@H]1O)C/C=C\CCCCC)/C=C/[C@@H](CCCC([O-])=O)O[C@@H]2O[C@H](C([O-])=O)[C@H]([C@@H]([C@H]2O)O)O)O C1[C@@H]([C@H]([C@H]([C@@H]1O)C/C=C\CCCCC)/C=C/[C@@H](CCCC([O-])=O)O[C@@H]2O[C@H](C([O-])=O)[C@H]([C@@H]([C@H]2O)O)O)O is major microspecies at pH 7.3. Its functional parent is 5-epi-5-F2t-IsoP(1-) . It is also related to or classified as F2-isoprostane , glucosiduronic acid , prostaglandin carboxylic acid anion .
The molecule CC(C(=O)c1ccc(cc1)N(C)C)\C=C(C)\C=C\C(O)=O CC(C(=O)c1ccc(cc1)N(C)C)\C=C(C)\C=C\C(O)=O is trichostatic acid. It is also related to or classified as 7-oxo monocarboxylic acid , alpha,beta-unsaturated monocarboxylic acid .