anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O1C2=C(C(=O)C=C1C=3C=C(OC)C(OC)=C(O)C3)C(O)=C(OC)C(O)=C2 O1C2=C(C(=O)C=C1C=3C=C(OC)C(OC)=C(O)C3)C(O)=C(OC)C(O)=C2 is 5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC4=CC=CC5=CC=CC=C54 C[C@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=NC=C3)[C@@H](C)CO)C)CN(C)C(=O)NC4=CC=CC5=CC=CC=C54 is N-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4-pyridinecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O=C1C(C(=O)c2ccccc12)c1ccc2ccccc2n1 O=C1C(C(=O)c2ccccc12)c1ccc2ccccc2n1 is A quinoline derivative with a 1,3-dioxoindan-2-yl substituent at C-2. It has the role of dye . It is also related to or classified as quinolines , beta-diketone , aromatic ketone .
The molecule CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(O)=O CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(O)=O is A tripeptide composed of two L-lysine units and L-leucine joined in sequence by peptide linkages. Its functional parent is L-leucine . Its functional parent is L-lysine . It is also related to or classified as tripeptide  .
The molecule C(CC)C(C)=C C(CC)C(C)=C is an alkene that is pent-1-ene carrying a methyl group at position 2. It has the role of human metabolite .  It is also related to or classified as alkene  . It is also related to or classified as volatile organic compound .
The molecule NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](OP(O)(O)=O)[C@@H]1O NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](OP(O)(O)=O)[C@@H]1O is kanamycin A 3'-phosphate. Its functional parent is kanamycin A . It is also related to or classified as aminoglycoside phosphate .
The molecule C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C is an organosulfonate oxoanion that is the conjugate base of taurocholic acid. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is an organosulfonate oxoanion and a cholanic acid conjugate anion. It is a conjugate base of a taurocholic acid.
The molecule OCc1ccc2ccccc2c1 OCc1ccc2ccccc2c1 is A naphthylmethanol that is methanol in which one of the methyl hydrogens has been replaced by a (2-naphthyl) group. It has the role of mouse metabolite . It has the role of xenobiotic metabolite . It is also related to or classified as naphthylmethanol  .
The molecule O(C1=C(C(O)=C(CO)C(=C1)C)C)C O(C1=C(C(O)=C(CO)C(=C1)C)C)C is Rhizonyl alcohol. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)C#N)OCC[C@H]3CC[C@H]([C@@H](O3)CN(C1=O)C)OC)C C[C@@H]1CN(C(=O)C2=C(C=CC(=C2)C#N)OCC[C@H]3CC[C@H]([C@@H](O3)CN(C1=O)C)OC)C is LSM-40658. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C(CC(C)C)(CC)C C(CC(C)C)(CC)C is an alkane that is hexane carrying a methyl group at positions 2 and 4. It has the role of human metabolite .  It is also related to or classified as alkane  . It is also related to or classified as volatile organic compound .
The molecule C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=C(NC4=O)N)OP(=O)(OC[C@@H]5[C@H]([C@H]([C@@H](O5)N6C=NC7=C(N=CN=C76)N)O)OP(=O)(O1)O)O)O is a cyclic purine dinucleotide that consists of AMP and GMP units cyclised via 3',5'- and 2',5'-linkages respectively. It is a cyclic purine dinucleotide, a guanyl ribonucleotide and an adenyl ribonucleotide. It derives from a Gp[2'-5']Ap[3']. It is a conjugate acid of a 2'-3'-cGAMP(2-).
The molecule O[C@@H](CC(=O)C([O-])=O)[C@H](O)C([O-])=O O[C@@H](CC(=O)C([O-])=O)[C@H](O)C([O-])=O is dicarboxylate anion of 2-dehydro-3-deoxy-D-glucaric acid; major species at pH 7.3. It is also related to or classified as carbohydrate acid anion .
The molecule C[C@]12CC[C@H]3[C@H]([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CCC5=C[C@@H]6[C@@H](C[C@]35C)O[C@]7([C@H](CCO[C@H]7O6)OC)O is a steroid lactone isolated from Elaeodendron tangenala and Elaeodendron glaucum and exhibits antiproliferative activity against A2780 human ovarian cancer cells. It has a role as a metabolite and an antineoplastic agent. It is an organic heterohexacyclic compound, a steroid lactone, a lactol, a tertiary alcohol, a butenolide and a cyclic ether.
The molecule C(C(C)C)(C)C C(C(C)C)(C)C is an alkane that is butane substituted by a methyl group at positions 2 and 3.  It is also related to or classified as alkane  . It is also related to or classified as volatile organic compound .
The molecule CC/C=C\\C/C=C\\C[C@@H]([C@@H](/C=C/C=C/C=C\\C/C=C\\CCC(=O)O)SC[C@@H](C(=O)O)N)O is a docosanoid that is (14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid in which a cysteinyl group is attached at position 13R via a sulfide linkage. It has a role as a human metabolite. It is a dicarboxylic acid, a docosanoid, an organic sulfide, a secondary alcohol and a S-substituted L-cysteine. It is a conjugate acid of a (13R)-S-cysteinyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoate(1-).
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)CN(C)CC4CC4 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)CN(C)CC4CC4 is N-[(3S,9R,10S)-9-[[cyclopropylmethyl(methyl)amino]methyl]-12-[(2S)-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]benzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCC[C@@H]([NH3+])C([O-])=O)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@@H]1[C@@H](NC(C)=O)[C@@H](OP([O-])(=O)OP([O-])(=O)OC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)O[C@H](CO)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)C([O-])=O)C([O-])=O C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCC[C@@H]([NH3+])C([O-])=O)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@@H]1[C@@H](NC(C)=O)[C@@H](OP([O-])(=O)OP([O-])(=O)OC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(\C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)O[C@H](CO)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)C([O-])=O)C([O-])=O is the organophosphate oxoanion of overall charge -4 being the major microspecies of undecaprenyldiphospho-N-acetyl-(N-acetylglucosaminyl)muramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine present at pH 7.3. It is also related to or classified as organophosphonate oxoanion .
The molecule C(CC(C)C)(C(C)C)C C(CC(C)C)(C(C)C)C is an alkane that is hexane substituted by a methyl group at positions 2,3 and 5. It has the role of human metabolite .  It is also related to or classified as alkane  . It is also related to or classified as volatile organic compound .
The molecule [H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(O)c(OC)c1)c1cc3OCOc3cc1[C@@H]2O [H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(O)c(OC)c1)c1cc3OCOc3cc1[C@@H]2O is an organic heterotetracyclic compound that is podophyllotoxin in which the methyl ether group at position 4 of the trimethoxyphenyl group has been cleaved to afford the corresponding phenol. It has the role of metabolite . It is also related to or classified as phenols  . It is also related to or classified as furonaphthodioxole  . It is also related to or classified as organic heterotetracyclic compound .
The molecule C#CCCCC(=O)O is a hexynoic acid in which the triple bond is between the carbons at positions 5 and 6. It is a hexynoic acid and a terminal acetylenic compound.
The molecule C[Si](C)(C)CCCS([O-])(=O)=O C[Si](C)(C)CCCS([O-])(=O)=O is an organosulfonate oxoanion that is the conjugate base of 3-(trimethylsilyl)propane-1-sulfonic acid resulting from the deprotonation of the sulfo group; Major species at pH 7.3. It is also related to or classified as organosulfonate oxoanion  .
The molecule O1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O[C@H]4O[C@@H]([C@@H](O[C@H]5O[C@@H]([C@@H](N[C@@H]6[C@H](O)[C@@H](O)[C@H](O)[C@]7([C@@H]6O7)CO)[C@@H]([C@H]5O)O)CO)[C@@H]([C@H]4O)O)CO O1[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O[C@H]4O[C@@H]([C@@H](O[C@H]5O[C@@H]([C@@H](N[C@@H]6[C@H](O)[C@@H](O)[C@H](O)[C@]7([C@@H]6O7)CO)[C@@H]([C@H]5O)O)CO)[C@@H]([C@H]4O)O)CO is CKD-711a. It is also related to or classified as glycoside  . It is also related to or classified as amino cyclitol .
The molecule [H][C@@]1(O[C@@](CC)(C[C@@H]1C)[C@@]1([H])CC[C@](O)(CC)[C@H](C)O1)[C@@H](CC)C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCC1=C(C([O-])=O)C(O)=C(C)C=C1 [H][C@@]1(O[C@@](CC)(C[C@@H]1C)[C@@]1([H])CC[C@](O)(CC)[C@H](C)O1)[C@@H](CC)C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCC1=C(C([O-])=O)C(O)=C(C)C=C1 is A member of the class of benzoates that is the conjugate base of lasalocid, resulting from the deprotonation of the carboxy group. Major species at pH 7.3. It is also related to or classified as benzoates .
The molecule [C@H]([C@](CP(=O)(O)[O-])(C([O-])=O)[H])(C([O-])=O)O [C@H]([C@](CP(=O)(O)[O-])(C([O-])=O)[H])(C([O-])=O)O is major species at pH 7.3. It is also related to or classified as dicarboxylic acid anion , organophosphonate oxoanion .
The molecule C(CC(C)C)(CCC)C C(CC(C)C)(CCC)C is an alkane that is heptane in which a hydrogen has been replaced by a methyl group at positions 2 and 4. It has the role of fungal metabolite .  It is also related to or classified as alkane  . It is also related to or classified as volatile organic compound .
The molecule CCCCCCCC/C=C\\CCCCCCCC(=O)O[C@H](CO)COC(=O)CCCCCCC/C=C\\C/C=C\\C/C=C\\CC is a 2,3-diacyl-sn-glycerol where oleoyl and alpha-linolenoyl form the 2- and 3-acyl groups respectively. It is a 1-alpha-linolenoyl-2-oleoylglycerol and a 2,3-diacyl-sn-glycerol. It is an enantiomer of a 1-alpha-linolenoyl-2-oleoyl-sn-glycerol.
The molecule O[C@@H]1[C@@]2([C@@]3([C@@](CC[C@]2([C@]4([C@](C1)(C(=O)CC4)C)[H])[H])(C[C@@H](O)CC3)[H])C)[H] O[C@@H]1[C@@]2([C@@]3([C@@](CC[C@]2([C@]4([C@](C1)(C(=O)CC4)C)[H])[H])(C[C@@H](O)CC3)[H])C)[H] is 3beta,11beta-dihydroxy-androstan-17-one. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .
The molecule O=C1OC(=CC=2C1=C(O)C=3C4=C(O)C=5C(=O)C6=C(C(O)=C(OC)C=C6O)C(C5C(=C4CCC3C2)O)=O)/C=C/C=C/C O=C1OC(=CC=2C1=C(O)C=3C4=C(O)C=5C(=O)C6=C(C(O)=C(OC)C=C6O)C(C5C(=C4CCC3C2)O)=O)/C=C/C=C/C is Fredericamycin C1. It is also related to or classified as quinone  . It is also related to or classified as tetracenes .
The molecule O[C@@H]1C[C@@](CCC1)(C2=C(O)C=C(C(CCCCCC)(C)C)C=C2)[H] O[C@@H]1C[C@@](CCC1)(C2=C(O)C=C(C(CCCCCC)(C)C)C=C2)[H] is Phenol, 5-(1,1-dimethylheptyl)-2-[(1r,3s)-3-hydroxycyclohexyl]-.  It is also related to or classified as alkylbenzene  . It is also related to or classified as ring assembly .
The molecule [H]C(C(C)(C)C)=O [H]C(C(C)(C)C)=O is A member of the class of propanals that is propanal substituted by two methyl groups at position 2.  It is also related to or classified as 2-methyl-branched fatty aldehyde  . It is also related to or classified as propanals .
The molecule N[C@@H]1C[C@H]([NH3+])[C@@H](O)[C@H](O)[C@H]1O N[C@@H]1C[C@H]([NH3+])[C@@H](O)[C@H](O)[C@H]1O is an organic cation obtained by protonation of one of the two free amino groups of 2-deoxystreptamine. It is a conjugate acid of 2-deoxystreptamine . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule C[C@@]1([C@@H]2C[C@@H]3C[C@H]([C@]2(CC3=C)C=CC1=O)O)CCC(=O)OC is a polycyclic cage with a 3-methoxy-3-oxopropyl side chain. It is isolated from Streptomyces platensis. It has a role as a metabolite. It is a cyclic ketone, a secondary alcohol, a polycyclic cage and a methyl ester.
The molecule O1[C@@H]([C@@]2([C@@]([C@H](OC2)C3=CC(OC)=C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)C=C3)(C1)[H])[H])C5=CC(OC)=C(O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)C=C5 O1[C@@H]([C@@]2([C@@]([C@H](OC2)C3=CC(OC)=C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO)C=C3)(C1)[H])[H])C5=CC(OC)=C(O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)CO)C=C5 is Pinoresinol diglucoside. It is also related to or classified as glycoside  . It is also related to or classified as lignan  .
The molecule O=C1C=2O[C@H]([C@H](O)[C@H](C2C(=O)C3=C1C=C(OC)C=C3O)OC(=O)C)C O=C1C=2O[C@H]([C@H](O)[C@H](C2C(=O)C3=C1C=C(OC)C=C3O)OC(=O)C)C is Gunacin. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule O=C1OC(=CC(=C1[C@H]2C(=O)C=C(C)O[C@@H]2C3=CC(O)=C(O)C=C3)O)/C=C/C4=CC(OC)=C(O)C=C4 O=C1OC(=CC(=C1[C@H]2C(=O)C=C(C)O[C@@H]2C3=CC(O)=C(O)C=C3)O)/C=C/C4=CC(OC)=C(O)C=C4 is Methyldavallialactone. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule [C@@H]1(CC/C(/C)=C/COP(OP(=O)([O-])[O-])(=O)[O-])C(=C)CC[C@]2([C@@]1(C)CCCC2(C)C)[H] [C@@H]1(CC/C(/C)=C/COP(OP(=O)([O-])[O-])(=O)[O-])C(=C)CC[C@]2([C@@]1(C)CCCC2(C)C)[H] is an organophosphate oxoanion that is a trianion resulting from the removal of all three protons from the diphosphate group of 5beta,9alpha,10alpha-labda-8(20),13-dien-15-yl diphosphate. The major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule [127IH] is the stable isotope of iodine with relative atomic mass 126.904468, 100 atom percent natural abundance and nuclear spin 5/2.
The molecule CO/C=C/[C@H](N)C(=O)O CO/C=C/[C@H](N)C(=O)O is L-2-amino-4-methoxy-trans-but-3-enoic acid. It has the role of toxin . It has the role of antimetabolite . It has the role of EC 4.2.1.20 (tryptophan synthase) inhibitor . It has the role of EC 2.1.2.1 (glycine hydroxymethyltransferase) inhibitor . It has the role of EC 2.3.1.* (acyltransferase transferring other than amino-acyl group) inhibitor . It has the role of EC 2.6.1.* (transaminase) inhibitor . It has the role of bacterial metabolite . Its functional parent is L-alpha-aminobutyric acid . It is also related to or classified as dehydroamino acid .
The molecule C1[C@@H]2[C@@H]([C@@H](N2C(=O)CN1)CO)C3=CC=C(C=C3)Br C1[C@@H]2[C@@H]([C@@H](N2C(=O)CN1)CO)C3=CC=C(C=C3)Br is (6S,7S,8R)-7-(4-bromophenyl)-8-(hydroxymethyl)-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C1=CC=C(C=C1)C[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CS)N is a tetrapeptide composed of L-cysteine, two L-phenylalanine units and glycine joined in sequence by peptide linkages. It has a role as a metabolite. It derives from a L-cysteine, a L-phenylalanine and a glycine.
The molecule C1[C@@H]([C@H](OC2=C1C(=C(C(=C2)O)[C@H]3[C@@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C(=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O is a proanthocyanidin consisting of (+)-gallocatechin and (+)-catechin units joined by a (4alpha->6)-linkage. It has a role as a metabolite. It is a hydroxyflavan, a proanthocyanidin, a polyphenol and a biflavonoid. It derives from a (+)-catechin and a (+)-gallocatechin.
The molecule [Na+].[Na+].Oc1c(\N=N\c2ccccc2)c(cc2cc(cc(Nc3nc(Cl)nc(Cl)n3)c12)S([O-])(=O)=O)S([O-])(=O)=O [Na+].[Na+].Oc1c(\N=N\c2ccccc2)c(cc2cc(cc(Nc3nc(Cl)nc(Cl)n3)c12)S([O-])(=O)=O)S([O-])(=O)=O is A 2,4-dichloro-1,3,5-triazine with a multi-substituted napthalen-1-ylamino substituent at the 6-position. It has the role of dye . It is also related to or classified as chloro-1,3,5-triazine , monoazo compound .
The molecule CSC[C@@H](O)[C@@H](O)C(=O)COP([O-])([O-])=O CSC[C@@H](O)[C@@H](O)C(=O)COP([O-])([O-])=O is dianion of S-methyl-5-thio-D-ribulose 1-phosphate. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as organophosphate oxoanion .
The molecule CC=CC1=CC=C(C=C1)[C@@H]2[C@@H]3CN(CC(=O)N3[C@@H]2CO)CC4=CC=C(C=C4)F CC=CC1=CC=C(C=C1)[C@@H]2[C@@H]3CN(CC(=O)N3[C@@H]2CO)CC4=CC=C(C=C4)F is LSM-40708. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule [NH4+].OP(=O)(O)[O-] is the ammonium salt of phosphoric acid (molar ratio 1:1). It has a role as a fertilizer. It contains a dihydrogenphosphate.
The molecule C(CCP(=O)(O)[O-])(C([O-])=O)=O C(CCP(=O)(O)[O-])(C([O-])=O)=O is major species at pH 7.3. It is also related to or classified as monocarboxylic acid anion  .
The molecule O[C@H]1[C@@]2([C@@]3([C@@](CC[C@]2([C@]4([C@](C1)(C(=O)CC4)C)[H])[H])(C[C@H](O)CC3)[H])C)[H] O[C@H]1[C@@]2([C@@]3([C@@](CC[C@]2([C@]4([C@](C1)(C(=O)CC4)C)[H])[H])(C[C@H](O)CC3)[H])C)[H] is 11-Hydroxyandrosterone. It has the role of androgen . It is also related to or classified as 3-hydroxy steroid .
The molecule O=C(O)[C@H]1N=CC(C1)=CCC O=C(O)[C@H]1N=CC(C1)=CCC is 3-propylidene-delta1-pyrroline-5-carboxylic acid. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C=1C=CC=C(C1C2=NN=NN2)C=3C=CC(=CN3)CN4N=C(N=C4CCCC)CCCC C=1C=CC=C(C1C2=NN=NN2)C=3C=CC(=CN3)CN4N=C(N=C4CCCC)CCCC is A member of the class of pyridines that is pyridine which is substituted at positions 2 and 5 by o-(tetrazol-5-yl)phenyl and (3,5-dibutyl-1,2,4-triazol-1-yl)methyl groups, respectively. It is a nonpeptide antagonist of angiotensin II, type 1 (AT1) receptors, used for the treatment of hypertension. It has the role of antihypertensive agent . It has the role of angiotensin receptor antagonist . It is also related to or classified as benzenes , pyridines , tetrazoles , triazoles .
The molecule C1[C@@H](C(=O)OC[C@@H](C(=O)OC[C@@H](C(=O)O1)NC(=O)C2=C(C(=CC=C2)O)O)NC(=O)C3=C(C(=CC=C3)O)O)NC(=O)C4=C(C(=CC=C4)O)O.[Fe] is an iron coordination entity and an organic anion. It has a role as an Escherichia coli metabolite. It contains an enterobactin(6-). It is a conjugate base of a ferrienterobactin.
The molecule C([C@H](CO)NC(C)=O)(=O)O C([C@H](CO)NC(C)=O)(=O)O is an N-acetyl-L-amino acid in which the amino acid specified is L-serine. Metabolite observed in cancer metabolism. It has the role of human metabolite . It is also related to or classified as N-acetyl-L-amino acid , acetyl-L-serine .
The molecule CC(C)(C)OC(=O)C1=CC(\N=C/C2=CN=CN=C2)=C(NC23CC4CC(CC(C4)C2)C3)C=C1 CC(C)(C)OC(=O)C1=CC(\N=C/C2=CN=CN=C2)=C(NC23CC4CC(CC(C4)C2)C3)C=C1 is an ethyl ester resulting from the formal condensation of the carboxy group of 4-[(adamantan-1-yl)amino]-3-{(Z)-[(pyrimidin-5-yl)methylidene]amino}benzoic acid with tert-butanol. It is an inhibitor of ferroptosis induced by erastin in HT-1080 and NIH3T3 cells when used at a concentration of 1 muM. It has the role of ferroptosis inhibitor . It is also related to or classified as tert-butyl ester  . It is also related to or classified as imine  . It is also related to or classified as pyrimidines , substituted aniline , secondary amino compound , adamantanes .
The molecule C\C=C(/C)C1=CC=C(C)C(=O)O1 C\C=C(/C)C1=CC=C(C)C(=O)O1 is A member of the class of 2-pyranones that is 2H-pyran-2-one in which the hydrogens at positions 3 and 6 are replaced by methyl and (2E)-2-buten-2-yl groups, respectively. It is a mycotoxin produced by the rice pathogen Fusarium fujikuroi. It has the role of mycotoxin . It has the role of antibacterial agent . It is also related to or classified as polyketide  . It is also related to or classified as 2-pyranones , olefinic compound , antibiotic antifungal agent .
The molecule C=1C=C(C=CC1Br)F C=1C=C(C=CC1Br)F is A member of the class of bromobenzenes that is bromobenzene carrying a fluoro atom at position 4.  It is also related to or classified as monofluorobenzenes  . It is also related to or classified as bromobenzenes .
The molecule CNCCc1c[nH]c2ccc(O)cc12 CNCCc1c[nH]c2ccc(O)cc12 is A member of the class of tryptamines that is serotonin in which one of the hydrogens attached to the primary amino group is replaced by a methyl group. It has the role of plant metabolite . It has the role of human metabolite . Its functional parent is serotonin .  It is also related to or classified as phenols  . It is also related to or classified as tryptamines .
The molecule CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CCC(=C)C=C)/C)/C)/C)/C)C is an acyclic triterpene that is 3-methylidenetetracosa-1,6,10,14,18,22-hexaene carrying five methyl substituents at positions 7, 11, 15, 19 and 23 (the all-E geoisomer). It has a role as a bacterial metabolite. It is a polyene and a triterpene. It derives from a trans-beta-farnesene.
The molecule [H][C@@]12CC(=O)N1C=C[C@@H]2C [H][C@@]12CC(=O)N1C=C[C@@H]2C is 1beta-methylcarbapenem. Its functional parent is carbapenem . It is also related to or classified as carbapenems  .
The molecule N[C@@H](CCC(=O)N[C@@H](CSCCO)C(=O)NCC(O)=O)C(O)=O N[C@@H](CCC(=O)N[C@@H](CSCCO)C(=O)NCC(O)=O)C(O)=O is A Glu-Cys-Gly tripeptide derivative of glutathione containing a 2-hydroxyethyl substituent on the S of the Cys residue. Its functional parent is glutathione . It is also related to or classified as glutathione derivative .
The molecule CC(=O)OCC1=C2[C@H](OC1=O)[C@H]1O[C@]1(C)CCC(=O)[C@@](C)(C[C@@H]2OC(C)=O)OC(C)=O CC(=O)OCC1=C2[C@H](OC1=O)[C@H]1O[C@]1(C)CCC(=O)[C@@](C)(C[C@@H]2OC(C)=O)OC(C)=O is Glaucolide B. It is also related to or classified as ketone  . It is also related to or classified as carboxylic ester  .
The molecule CC(=O)NCCC[NH2+]CCCC[NH2+]CCCNC(C)=O CC(=O)NCCC[NH2+]CCCC[NH2+]CCCNC(C)=O is dication of N(1),N(12)-diacetylspermine. It has the role of human metabolite . It is a conjugate acid of N(1),N(12)-diacetylspermine . It is also related to or classified as ammonium ion derivative .
The molecule C[C@H]1C(=O)N(CC[C@@H]2CC[C@@H]([C@@H](O2)COC3=C(C=C(C=C3)C#N)C(=O)N1C)OC)C C[C@H]1C(=O)N(CC[C@@H]2CC[C@@H]([C@@H](O2)COC3=C(C=C(C=C3)C#N)C(=O)N1C)OC)C is LSM-40709. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O=C1CCC=C1 O=C1CCC=C1 is an enone that is cyclopentanone having a C=C double bond at position 2. It has the role of Hsp70 inducer .  It is also related to or classified as enone  . It is also related to or classified as alicyclic ketone .
The molecule C1CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC([C@]2(N(C([C@H](C1)NC(CCC=3C=CC=CC3)=O)=O)CCC2)[H])=O)CC4CCCCC4)CC=5C=6C=CC=CC6NC5)CCCNC(N)=N C1CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC([C@]2(N(C([C@H](C1)NC(CCC=3C=CC=CC3)=O)=O)CCC2)[H])=O)CC4CCCCC4)CC=5C=6C=CC=CC6NC5)CCCNC(N)=N is A homodetic cyclic peptide resulting from the formal condensation of the carboxy group of N(2)-(3-phenylpropanoyl)-L-ornithyl-L-prolyl-3-cyclohexyl-D-alanyl-L-tryptophyl-L-arginine with the 5-amino group of the N(2)-acylornithyl residue. It has the role of C5a receptor antagonist . It has the role of antagonist . It has the role of anti-inflammatory agent . It is also related to or classified as homodetic cyclic peptide , azamacrocycle .
The molecule CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCCCCCCC is a phosphatidic acid in which the phosphatidyl acyl groups are both myristoyl. It is a conjugate acid of a 1,2-dimyrsitoylphosphatidate(2-).
The molecule C1CCC(=CC1)C2=CC=C(C=C2)[C@@H]3[C@@H](N([C@@H]3C#N)C(=O)C4=CC=CC=N4)CO C1CCC(=CC1)C2=CC=C(C=C2)[C@@H]3[C@@H](N([C@@H]3C#N)C(=O)C4=CC=CC=N4)CO is (2S,3S,4R)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile. It is also related to or classified as benzenes , ring assembly , azetidines .