anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC(C)C(=O)C1(CC(CO1)[C@@H]2CC[C@]3([C@]2(CC[C@H]4C3=CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)C)O is a tirucallane triterpenoid isolated from Dysoxylum lenticellatum. It has a role as a plant metabolite. It is a cyclic terpene ketone, a cyclic hemiketal and a tirucallane triterpenoid.
The molecule Cl.[H][C@]1(C[C@H](CCN1CC1=C(OC)C=C(C)C2=C1C=CN2)OCC)C1=CC=C(C=C1)C(O)=O Cl.[H][C@]1(C[C@H](CCN1CC1=C(OC)C=C(C)C2=C1C=CN2)OCC)C1=CC=C(C=C1)C(O)=O is the hydrochloride salt of iptacopan. It has the role of complement factor B inhibitor . It has the role of immunomodulator . It is also related to or classified as hydrochloride .
The molecule c1ccc-2c(c1)-c1ccccc-21 c1ccc-2c(c1)-c1ccccc-21 is biphenylene. It is also related to or classified as ortho-fused polycyclic arene , ortho-fused tricyclic hydrocarbon .
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)[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=CC=C3)[C@H](C)CO)C)CNC is N-[(3R,9R,10R)-12-[(2R)-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 Cc1cccc(C)c1N Cc1cccc(C)c1N is A primary arylamine that is aniline in which the hydrogens at the 2- and 6-positions are replaced by methyl groups. It is used in the production of some anasthetics and other chemicals. It is a drug metabolite of lidocaine (local anasthetic). It has the role of drug metabolite . It has the role of carcinogenic agent .  It is also related to or classified as primary arylamine  . It is also related to or classified as dimethylaniline .
The molecule OCCCN OCCCN is A member of the class of  propanolamines that is propane with a hydroxy substituent at C-1 and an amino substituent at C-2, making it both a primary amine and a primary alcohol. It is also related to or classified as primary alcohol  . It is also related to or classified as primary amine  . It is also related to or classified as propanolamine  .
The molecule C1(=O)C(C)=C(C(=O)C2=CC=CC=C12)C/C=C(\C)/CCCC(C)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(/CC/C=C(/CC/C=C(/CO)\C)\C)\C C1(=O)C(C)=C(C(=O)C2=CC=CC=C12)C/C=C(\C)/CCCC(C)CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(/CC/C=C(/CC/C=C(/CO)\C)\C)\C is A member of the class of menaquinones that is menaquinone-9 in which the double bond that is second nearest to the naphthoquinone moiety has been dihydrogenated and one of the terminal methyl hydrogens has been replaced by a hydroxy group. It has the role of bacterial metabolite . Its functional parent is menaquinone-9 . It is also related to or classified as primary allylic alcohol  . It is also related to or classified as menaquinones .
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)O[C@H](C)CCCCCCC[C@H](CC(=O)O)O)O)O is an (omega-1)-hydroxy fatty acid ascaroside that is ascr#20 in which the pro-R hydrogen that is beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is an (omega-1)-hydroxy fatty acid ascaroside, a 3-hydroxy carboxylic acid and a monocarboxylic acid. It derives from an ascr#20 and a (3R,11R)-3,11-dihydroxylauric acid. It is a conjugate acid of a bhas#20(1-).
The molecule O=C1N[C@@H](C(C)C)C(=C1C(=O)CC(OC)CC(O)C)O O=C1N[C@@H](C(C)C)C(=C1C(=O)CC(OC)CC(O)C)O is Cladosporiumin H. It is also related to or classified as enol  . It is also related to or classified as enone  .
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)CCC(F)(F)F 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)CCC(F)(F)F is 4,4,4-trifluoro-N-[[(3S,9R,10S)-12-[(2S)-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-methylbutanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O1C2=C(C(OC)=CC(OC)=C2OC)C(=O)C=C1C3=CC(OC)=C(OC)C=C3 O1C2=C(C(OC)=CC(OC)=C2OC)C(=O)C=C1C3=CC(OC)=C(OC)C=C3 is Isosinensetin. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule ClC1=CC(=C(OC)C=C1)C(=O)NC[C@](O)(C2=CC=C(S(=O)(=O)NC(=O)NC3CCCCC3)C=C2)C ClC1=CC(=C(OC)C=C1)C(=O)NC[C@](O)(C2=CC=C(S(=O)(=O)NC(=O)NC3CCCCC3)C=C2)C is 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)aminosulfonyl]phenyl}-2-hydroxypropyl)-2-methoxybenzamide. It is also related to or classified as N-sulfonylurea  . It is also related to or classified as monochlorobenzenes .
The molecule C[C@H](C[C@@H]([C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O)C(C)C is a 3-oxo Delta(4)-steroid that is campest-4-en-3-one bearing an additional 22S-hydroxy substituent. It is a 22-hydroxy steroid, a 3-oxo-Delta(4) steroid and a brassinosteroid. It derives from a hydride of a campestane.
The molecule CN1CCN(CCCN2c3ccccc3Sc3ccccc23)CC1 CN1CCN(CCCN2c3ccccc3Sc3ccccc23)CC1 is A phenothiazine derivative in which 10H-phenothiazinecarries a 3-(4-methylpiperazin-1-yl)propyl substituent at the N-10 position. It has the role of phenothiazine antipsychotic drug . It has the role of dopaminergic antagonist . It is also related to or classified as phenothiazines , N-methylpiperazine , N-alkylpiperazine .
The molecule C1[C@]2([C@@]3(CC[C@H]4C(=C[C@]3(CC[C@@]2(C(C[C@@H]1O)(C)C)[H])C4)C)[H])C C1[C@]2([C@@]3(CC[C@H]4C(=C[C@]3(CC[C@@]2(C(C[C@@H]1O)(C)C)[H])C4)C)[H])C is an ent-kaurane diterpenoid in which the ent-kaurane skeleton has a double bond at C-15 and carries an alpha-configured hydroxy group at C-2. It has the role of plant metabolite . It is also related to or classified as ent-kaurane diterpenoid .
The molecule CC(CO)O is the simplest member of the class of propane-1,2-diols, consisting of propane in which a hydrogen at position 1 and a hydrogen at position 2 are substituted by hydroxy groups. A colourless, viscous, hygroscopic, low-melting (-59℃) and high-boiling (188℃) liquid with low toxicity, it is used as a solvent, emulsifying agent, and antifreeze. It has a role as a protic solvent, an allergen, a human xenobiotic metabolite and a mouse metabolite. It is a member of propane-1,2-diols and a glycol.
The molecule O1C(CC(=O)C=2C1=CC(O)=CC2O)C3=CC(OC)=C(OC(=O)C(C)C)C=C3 O1C(CC(=O)C=2C1=CC(O)=CC2O)C3=CC(OC)=C(OC(=O)C(C)C)C=C3 is Homoeriodictyol 4'-isobutyrate. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCCC(C)CO [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@]3(C)[C@]([H])(CC[C@@]3([H])[C@]1([H])[C@H](O)C2)[C@H](C)CCCC(C)CO is 5beta-cholestane-3alpha,7alpha,26-triol. It has the role of bile acid metabolite . It has the role of mouse metabolite . It has the role of human metabolite . 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 26-hydroxy steroid .
The molecule ClC1=CC(=C(OC)C=C1)C(=O)NC[C@@H](C2=CC=C(S(=O)(=O)NC(=O)NC3CCCCC3)C=C2)C ClC1=CC(=C(OC)C=C1)C(=O)NC[C@@H](C2=CC=C(S(=O)(=O)NC(=O)NC3CCCCC3)C=C2)C is 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)aminosulfonyl]phenyl}propyl)-2-methoxybenzamide. It is also related to or classified as N-sulfonylurea  . It is also related to or classified as monochlorobenzenes .
The molecule N1(C(N(C(N(C1=O)CCCCCCN=C=O)=O)CCCCCCN=C=O)=O)CCCCCCN=C=O N1(C(N(C(N(C1=O)CCCCCCN=C=O)=O)CCCCCCN=C=O)=O)CCCCCCN=C=O is A triisocyanate being a derivative of isocyanuric acid with a 6-isocyanatohexyl group at each of the 1-, 3- and 5-positions. Its functional parent is isocyanuric acid . It is also related to or classified as triisocyanate .
The molecule C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=CC(C5O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C=C2 is a glutathione derivative in which the hydrogen of the side-chain thiol function of glutathione is substituted by a 7-hydroxy-7,8-dihydrobenzo[pqr]tetraphen-8-yl group. It has a role as a mouse metabolite. It derives from a hydride of a benzo[a]pyrene.
The molecule COc1cc(\C=C\C)ccc1O COc1cc(\C=C\C)ccc1O is the trans-stereoisomer of isoeugenol. It has the role of plant metabolite . It is also related to or classified as isoeugenol  .
The molecule Cc1ccc2[nH]cnc2c1 Cc1ccc2[nH]cnc2c1 is A member of the class of imidazoles that is 1H-benzimidazole in which the hydrogen at position 5 is substituted by a methyl group. It is also related to or classified as imidazoles .
The molecule OC(=O)C1CC(=O)NC(=O)N1 OC(=O)C1CC(=O)NC(=O)N1 is A pyrimidinemonocarboxylic acid that results from the base-catalysed cyclisation of N(alpha)-carbethoxyasparagine. Its functional parent is orotic acid . It is a conjugate acid of dihydroorotate . It is also related to or classified as pyrimidinemonocarboxylic acid , secondary amide , N-acylurea , monocarboxylic acid .
The molecule Clc1cccc2c1[nH]c1c3[nH]c4c(Cl)cccc4c3c3C(=O)NC(=O)c3c21 Clc1cccc2c1[nH]c1c3[nH]c4c(Cl)cccc4c3c3C(=O)NC(=O)c3c21 is an indolocarbazole compound having two chloro substituents and an additijonal fused pyrrole-2,5-dione ring. It is also related to or classified as organochlorine compound  . It is also related to or classified as organic heterohexacyclic compound , indolocarbazole .
The molecule O=C(O)C[C@@]1(OCCC2=C1NC=3C(=CC=CC23)CO)CC O=C(O)C[C@@]1(OCCC2=C1NC=3C(=CC=CC23)CO)CC is [1-ethyl-8-(hydroxymethyl)-3H,4H,9H-pyrano[3,4-b]indol-1-yl]acetic acid. It is also related to or classified as monocarboxylic acid , organic heterotricyclic compound .
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O is a glycosylfucose consisting of beta-D-galactopyranose and alpha-L-fucopyranose residues joined in sequence by a (1->4) glycosidic bond. It derives from a beta-D-galactose and an alpha-L-fucose.
The molecule COC1=CC(=CC(=C1)O)C2=C(C=C3[C](C=C(C=C3O2)O)O)O COC1=CC(=CC(=C1)O)C2=C(C=C3[C](C=C(C=C3O2)O)O)O is 3,5,7-trihydroxy-2-(3-hydroxy-5-methoxyphenyl)-5H-chromen-5-yl. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule O1C=2C(=C(O)C(OC)=C(O)C2OC)C(=O)C=C1C3=CC(OC)=C(OC)C=C3 O1C=2C(=C(O)C(OC)=C(O)C2OC)C(=O)C=C1C3=CC(OC)=C(OC)C=C3 is Hymenoxin. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule [H][C@@]12C[C@@](O)(NC(=O)O1)[C@H](OC)\C=C\C=C(C)\Cc1cc(OC)c(Cl)c(c1)N(C)C(=O)C[C@H](OC(=O)C(C)C)[C@]1(C)O[C@@]1([H])[C@@H]2C [H][C@@]12C[C@@](O)(NC(=O)O1)[C@H](OC)\C=C\C=C(C)\Cc1cc(OC)c(Cl)c(c1)N(C)C(=O)C[C@H](OC(=O)C(C)C)[C@]1(C)O[C@@]1([H])[C@@H]2C is A polyketide antibiotic that is isolated from Actinosynnema pretiosum and also exhibits antitumour activity. It has the role of metabolite . It has the role of antimicrobial agent . It has the role of antineoplastic agent .  It is also related to or classified as lactam  . It is also related to or classified as polyketide  . 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 carboxylic ester  . It is also related to or classified as carbamate ester , aromatic ether , monochlorobenzenes .
The molecule Cl/C=C/C(C#C)(C1O[C@H](C(=O)O)[C@@H](O)[C@@H]([C@H]1O)O)CC Cl/C=C/C(C#C)(C1O[C@H](C(=O)O)[C@@H](O)[C@@H]([C@H]1O)O)CC is (2R,3R,4S,5S)-6-[(1E)-1-chloro-3-ethylpent-1-en-4-yn-3-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid. It is also related to or classified as tertiary alcohol  . It is also related to or classified as organochlorine compound  .  It is also related to or classified as terminal acetylenic compound  . It is also related to or classified as enyne .
The molecule CC1(C)CC(CCl)C(=O)O1 CC1(C)CC(CCl)C(=O)O1 is A butan-4-olide having a chloromethyl group at the 3-position and two methyl substituents at the 5-position.  It is also related to or classified as organochlorine compound  . It is also related to or classified as butan-4-olide .
The molecule C1CC(=O)NC1=O is a dicarboximide that is pyrrolidine which is substituted by oxo groups at positions 2 and 5. It is a pyrrolidinone and a dicarboximide.
The molecule C=12OC(=C(C(C1C(=CC(=C2)OC)[O-])=O)O)C3=CC(=C(C(=C3)O)O)O C=12OC(=C(C(C1C(=CC(=C2)OC)[O-])=O)O)C3=CC(=C(C(=C3)O)O)O is major microspecies at pH 7.3. It is also related to or classified as flavonoid oxoanion .
The molecule CCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F CCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F is A fluoroalkane that is tetradecane in which all of the hydrogen atoms at positions 1, 2, 3, 4, 5, and 6 have been replaced by fluorine atoms. It is an ophthalmic solution used to treat the signs and symptoms of dry eye disease. It has the role of nonionic surfactant . It has the role of ophthalmology drug . It is also related to or classified as fluoroalkane  . It is also related to or classified as fluorohydrocarbon .
The molecule [H][C@@]12Cc3ccc(OC)c(OC)c3C[N@+]1(C)CCc1cc3OCOc3cc21 [H][C@@]12Cc3ccc(OC)c(OC)c3C[N@+]1(C)CCc1cc3OCOc3cc21 is (S)-cis-N-methylcanadine. It is also related to or classified as (S)-N-methylcanadine  . It is also related to or classified as an (S)-cis-N-methyl-7,8,13,14-tetrahydroprotoberberine  .
The molecule Cl/C=C/C(O)(C#C)C(O)C Cl/C=C/C(O)(C#C)C(O)C is (E)-5-chloro-3-ethynylpent-4-ene-2,3-diol. It is also related to or classified as tertiary alcohol  . It is also related to or classified as organochlorine compound  .  It is also related to or classified as terminal acetylenic compound  . It is also related to or classified as enyne .
The molecule C1(=NC2=CC(SC3=CC=C(C=C3)O)=CC=C2N1)NC(=O)OC C1(=NC2=CC(SC3=CC=C(C=C3)O)=CC=C2N1)NC(=O)OC is A member of the class of benzimidazoles that is fenbendazole in which the hydrogen at position 4 on the phenyl ring has been replaced by a hydroxy group. It has the role of drug metabolite . It has the role of marine xenobiotic metabolite . Its functional parent is fenbendazole .   It is also related to or classified as phenols  . It is also related to or classified as benzimidazoles , carbamate ester , aryl sulfide .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)NC(=O)C)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)NC(=O)C)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)NC(=O)C)O)O)NC(=O)C)O is a branched amino octasaccharide consisting of a pentasaccharide chain of N-acetyl-beta-D-glucosamine, alpha-D-mannose, beta-D-mannose and two further N-acetyl-beta-D-glucosamine residues linked sequentially (1->2), (1->3), (1->4) and (1->4), to the beta-D-mannose residue of which is also linked (1->6) an N-acetyl-beta-D-glucosaminyl-(1->2)-[N-acetyl-beta-D-glucosaminyl-(1->6)]-alpha-D-mannosyl trisaccharide unit. It is an amino octasaccharide and a glucosamine oligosaccharide.
The molecule OC(CCCC([O-])=O)C([O-])=O OC(CCCC([O-])=O)C([O-])=O is dicarboxylate anion of 2-hydroxyadipic acid; major species at pH 7.3. It is also related to or classified as dicarboxylic acid dianion  .
The molecule COc1cc(cc(OC)c1O)\C=C\C([O-])=O COc1cc(cc(OC)c1O)\C=C\C([O-])=O is A member of the class of cinnamates that is the conjugate base of trans-sinapic acid. It has the role of plant metabolite . It is also related to or classified as cinnamates .
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)C4=CC=CC=C4 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)C4=CC=CC=C4 is N-[(3R,9R,10S)-9-[[benzoyl(methyl)amino]methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-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 FC(F)(OC(F)F)C(=O)O FC(F)(OC(F)F)C(=O)O is 2-(difluoromethoxy)-2,2-difluoroacetic acid. It is also related to or classified as organohalogen compound  . It is also related to or classified as carboxylic acid  .
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\\COP(=O)(O)OP(=O)(O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)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)CO)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)CO)O)O)O)O)O)O)O)O)/C)/C)/C)/C)/C)/C)/C)/C)/C)/C)C is an oligosaccharide phosphate that is a pentasaccharide consisting of one glucuronic acid, two mannose and two glucose residues linked via a diphospho group to undecaprenol. It is a conjugate acid of a beta-D-Man-(1->4)-beta-D-GlcA-(1->2)-alpha-D-Man-(1->3)-beta-D-Glc-(1->4)-alpha-D-Glc-1-diphospho-ditrans,polycis-undecaprenol(3-).
The molecule O1C2=C(C(=O)C(OC)=C1C3=CC(OC)=C(OC)C=C3)C(O)=CC(OC)=C2O O1C2=C(C(=O)C(OC)=C1C3=CC(OC)=C(OC)C=C3)C(O)=CC(OC)=C2O is 5,8-Dihydroxy-3,3',4',7-tetramethoxyflavone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](O)C(C)C [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC[C@@H](O)C(C)C is A 7alpha,24-dihydroxycholesterol in which has R configuration at position 24. It is also related to or classified as 7alpha,24-dihydroxycholesterol  .
The molecule C=12C(=CC=CC1)N=C3[C@]4(N5[C@H]6C[C@]32[C@@H](C6[C@]([C@@H]([C@H]5O)CC)(C4)[H])OC(=O)C)[H] C=12C(=CC=CC1)N=C3[C@]4(N5[C@H]6C[C@]32[C@@H](C6[C@]([C@@H]([C@H]5O)CC)(C4)[H])OC(=O)C)[H] is (20S)-19,20-dihydrovomilenine. Its functional parent is vomilenine .  It is also related to or classified as hemiaminal  . It is also related to or classified as indole alkaloid .
The molecule OCC(O)COP(O)(O)=O OCC(O)COP(O)(O)=O is A glycerol monophosphate having the phosphate group located at position 1. It has the role of human metabolite . It has the role of algal metabolite . It is a conjugate acid of glycerol 1-phosphate(2-) . It is also related to or classified as glycerol monophosphate .
The molecule C=12C=CC(=CC1N=C(N2)NC(OC)=O)SCCCO C=12C=CC(=CC1N=C(N2)NC(OC)=O)SCCCO is A member of the class of benzimidazoles that is albendazole in which one of the terminal methyl hydrogens on the propyl group has been replaced by a hydroxy group. It has the role of drug metabolite . Its functional parent is albendazole . It is also related to or classified as primary alcohol  . It is also related to or classified as benzimidazoles , carbamate ester , aryl sulfide .
The molecule C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](C)N)O is a dipeptide formed from L-alanyl and L-threonine residues. It has a role as a metabolite. It is a tautomer of an Ala-Thr zwitterion.
The molecule C12=C(C=CC=C1)NC=3[C@]([C@@]4(C(=C[NH+](CC4)CCC32)CC)[H])(C(=O)OC)COC(C)=O C12=C(C=CC=C1)NC=3[C@]([C@@]4(C(=C[NH+](CC4)CCC32)CC)[H])(C(=O)OC)COC(C)=O is major species at pH 7.3. It is also related to or classified as methyl ester  .   It is also related to or classified as acetate ester  . It is also related to or classified as organic cation , organic heterotetracyclic compound , monoterpenoid indole alkaloid .
The molecule O(C=1C=2C(C(OC(=O)CCC(O)=O)=CC1C)=CC=CC2)C(=O)CCC(O)=O O(C=1C=2C(C(OC(=O)CCC(O)=O)=CC1C)=CC=CC2)C(=O)CCC(O)=O is Menadiol disuccinate. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule O=C1C=C2C(C3C(C4C([C@](O)(C#C)CC4)(C)CC3)CC2)(C)CC1CO O=C1C=C2C(C3C(C4C([C@](O)(C#C)CC4)(C)CC3)CC2)(C)CC1CO is (1R)-1-ethynyl-1-hydroxy-8-(hydroxymethyl)-9a,11a-dimethyl-2H,3H,3aH,3bH,4H,5H,8H,9H,9bH,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 C1=CC(=CC(=C1)O)C(=O)O is a monohydroxybenzoic acid that is benzoic acid substituted by a hydroxy group at position 3. It has been isolated from Taxus baccata. It is used as an intermediate in the synthesis of plasticisers, resins, pharmaceuticals, etc. It has a role as a bacterial metabolite and a plant metabolite. It derives from a benzoic acid. It is a conjugate acid of a 3-hydroxybenzoate.
The molecule CC1=C(C(=CC2=CC3=C(C(=C12)O)C(=O)C4=C(C3)C=C(C=C4O)O)O)C(=O)O is a tetracenomycin that is 1-methyl-11-oxo-6,11-dihydrotetracene-2-carboxylic acid bearing four hydroxy substituents at positions 3, 8, 10 and 12. It is a tetracenomycin, a hydroxy monocarboxylic acid and a member of phenols. It is a conjugate acid of a tetracenomycin F1(1-).
The molecule CC1(C)CC(CBr)C(=O)O1 CC1(C)CC(CBr)C(=O)O1 is A butan-4-olide having a bromomethyl group at the 3-position and two methyl substituents at the 5-position.  It is also related to or classified as organobromine compound  . It is also related to or classified as butan-4-olide .
The molecule CCCC1OC1C(=O)N[C@@H](CO)C(=O)N[C@H]1C(C)OC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)c1ccc(O)cc1)[C@H](O)C(N)=O)C(C)CC(O)=O CCCC1OC1C(=O)N[C@@H](CO)C(=O)N[C@H]1C(C)OC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)c1ccc(O)cc1)[C@H](O)C(N)=O)C(C)CC(O)=O is Streptomyces coelicolor calcium-dependent antibiotic CDA4b. It has the role of calcium-dependent antibiotics . It is also related to or classified as polypeptide  .
The molecule O=C(N)C=1N=CNC1/N=N/N(CO)C O=C(N)C=1N=CNC1/N=N/N(CO)C is 4-[(E)-[hydroxymethyl(methyl)amino]diazenyl]-1H-imidazole-5-carboxamide. It is also related to or classified as heteroarene  . It is also related to or classified as aromatic amide .
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)C)[C@H](C)CO)C)CN(C)C 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)C)[C@H](C)CO)C)CN(C)C is N-[(3R,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-methylbenzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CN1CCC(CC1)CN1c2ccccc2Sc2ccccc12 CN1CCC(CC1)CN1c2ccccc2Sc2ccccc12 is A phenothiazine derivative in which 10H-phenothiazine has an N-methylpiperidin-4-ylmethyl substituent at the N-10 position. It has the role of sedative . It has the role of antiemetic . It is also related to or classified as piperidines , phenothiazines .
The molecule CCCCC[C@@H](/C=C/[C@@H]1[C@H]([C@@H](CC1=O)SC[C@@H](C(=O)NCC(=O)[O-])NC(=O)CC[C@@H](C(=O)[O-])[NH3+])C/C=C\\CCCC(=O)[O-])O is a prostanoid anion obtained by deprotonation of the three carboxy groups and protonation of the glutamyl alpha-amino group of (R)-PGJ2-S-glutathione conjugate; major species at pH 7.3. It derives from a prostaglandin J2(1-) and a glutathionate(1-). It is a conjugate base of a (R)-PGJ2-S-glutathione conjugate.
The molecule C=1C=CC=C2C1NC(=N2)NC([O-])=O C=1C=CC=C2C1NC(=N2)NC([O-])=O is major species at pH 7.3.  It is also related to or classified as monocarboxylic acid anion  . It is also related to or classified as benzimidazoles .
The molecule S=C=S S=C=S is carbon disulfide. It is also related to or classified as organosulfur compound , one-carbon compound .
The molecule O=C1NC2=C(C=C(OCCCCC3=[N+](N=NN3)C4CCC(O)CC4)C=C2)C=C1 O=C1NC2=C(C=C(OCCCCC3=[N+](N=NN3)C4CCC(O)CC4)C=C2)C=C1 is 1-(4-hydroxycyclohexyl)-5-{4-[(2-oxo-1H-quinolin-6-yl)oxy]butyl}-4H-1lambda5,2,3,4-tetrazol-1-ylium. It is also related to or classified as lactam  . It is also related to or classified as tetrazoles .