anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C1=CC(=CC=C1CC[NH3+])O is an ammonium ion that is the conjugate acid of tyramine; major species at pH 7.3. It has a role as a neurotransmitter and a human metabolite. It is a monoamine molecular messenger and an ammonium ion derivative. It is a conjugate acid of a tyramine.
The molecule C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)CC[C@]34C is an androstanoid having 17beta-hydroxy and 3-oxo groups, together with unsaturation at C-4-C-5.. It has a role as an androgen, a human metabolite, a Daphnia magna metabolite and a mouse metabolite. It is a 17beta-hydroxy steroid, an androstanoid, a C19-steroid and a 3-oxo-Delta(4) steroid.
The molecule [H][C@]12Cc3c(n(C)c4ccccc34)[C@]3([H])C[C@@]([H])([C@H]1CO)C(=CN23)[C@H](C)O [H][C@]12Cc3c(n(C)c4ccccc34)[C@]3([H])C[C@@]([H])([C@H]1CO)C(=CN23)[C@H](C)O is alstoumerine. It has the role of metabolite . It is also related to or classified as indole alkaloid .
The molecule O.Cc1ccc(cc1)S(O)(=O)=O.NC1CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F O.Cc1ccc(cc1)S(O)(=O)=O.NC1CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F is A racemate comprising equimolar amounts of (R)- and (S)-tosufloxacin tosylate hydrate. It has the role of antimicrobial agent . It has the role of antiinfective agent . It has the role of hepatotoxic agent . It has the role of topoisomerase IV inhibitor . It has the role of DNA synthesis inhibitor . It is also related to or classified as racemate .
The molecule NC(=O)NC(CC(O)=O)C(O)=O NC(=O)NC(CC(O)=O)C(O)=O is an N-carbamoylamino acid that is aspartic acid with one of its amino hydrogens replaced by a carbamoyl group. It has the role of Saccharomyces cerevisiae metabolite . It has the role of Escherichia coli metabolite . It has the role of human metabolite . It is a conjugate acid of N-carbamoylaspartate(2-) . It is also related to or classified as N-carbamoyl-amino acid , aspartic acid derivative , C4-dicarboxylic acid .
The molecule CCCCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC2C(C(C(C(O2)COC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)OS(=O)(=O)[O-])O)O is an organosulfate oxoanion that is the conjugate base of 2-palmitoyl-3,6,6'-tristearoyl-2'-sulfo-alpha,alpha-trehalose arising from deprotonation of the sulfate OH group; major species at pH 7.3. It has a role as a bacterial metabolite. It is a conjugate base of a 2-palmitoyl-3,6,6'-tristearoyl-2'-sulfo-alpha,alpha-trehalose.
The molecule [H][C@]12Cc3c([nH]c4cc5C[C@@]6([H])[C@]7([H])C[C@]8([H])N(C)[C@@]([H])(Cc9c8n(C)c8ccccc98)[C@]7([H])CO[C@@]6(C)Oc5cc34)[C@]3([H])C[C@@]([H])([C@H]1CO)\C(CN23)=C/C [H][C@]12Cc3c([nH]c4cc5C[C@@]6([H])[C@]7([H])C[C@]8([H])N(C)[C@@]([H])(Cc9c8n(C)c8ccccc98)[C@]7([H])CO[C@@]6(C)Oc5cc34)[C@]3([H])C[C@@]([H])([C@H]1CO)\C(CN23)=C/C is lumutinine D. It has the role of metabolite . It is also related to or classified as indole alkaloid .
The molecule OC([C@@H](CCS(O)(=O)=O)N)=O OC([C@@H](CCS(O)(=O)=O)N)=O is A homocysteic acid with D-configuration. It has the role of metabotropic glutamate receptor agonist . It is also related to or classified as homocysteic acid  .
The molecule [C@]123[C@]4(CCC5=C([C@@]4(C[C@H]6[C@]3(C([C@@]7([C@H]([C@@H]1O2)O7)C(C)C)=O)O6)[H])COC5=O)C [C@]123[C@]4(CCC5=C([C@@]4(C[C@H]6[C@]3(C([C@@]7([C@H]([C@@H]1O2)O7)C(C)C)=O)O6)[H])COC5=O)C is A diterpene triepoxide that is triptobenzene K in which the acylhydroquinone moiety has undergone oxidation to the corresponding triepoxyketone derivative. It has been isolated from the roots of Tripterygium wilfordii. It has the role of antineoplastic agent . It has the role of immunosuppressive agent . It has the role of anti-inflammatory agent .   It is also related to or classified as butenolide  . It is also related to or classified as diterpene triepoxide , cyclic ketone , organic heteroheptacyclic compound .
The molecule C(COCCOCCN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O is a diether that is ethylene glycol in which the hydrogens of the hydroxy groups have been replaced by 2-[bis(carboxymethyl)amino]ethyl group respectively. It has a role as a chelator. It is a tetracarboxylic acid, a tertiary amino compound and a diether.
The molecule [H][C@@](O)(C(O)=O)C([H])(O)[C@]([H])(O)C(O)=O [H][C@@](O)(C(O)=O)C([H])(O)[C@]([H])(O)C(O)=O is D-arabinaric acid. It is a conjugate acid of D-arabinarate(1-) . It is also related to or classified as arabinaric acid .
The molecule O(C1[C@@H](O)[C@H](O)C(O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(OC)C=C4)CO[C@@H]5OC([C@H](O)C(O)[C@@H]5O)C)[C@@H]6OC([C@@H](O)[C@H](O)C6O)CO O(C1[C@@H](O)[C@H](O)C(O[C@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC=C(OC)C=C4)CO[C@@H]5OC([C@H](O)C(O)[C@@H]5O)C)[C@@H]6OC([C@@H](O)[C@H](O)C6O)CO is Kaempferol 4'-methyl ether 3-(2Glc-glucosylrutinoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule O=C1Cc2ccccc2N1 O=C1Cc2ccccc2N1 is an indolinone carrying an oxo group at position 2. It is also related to or classified as indolinone , gamma-lactam .
The molecule [O-]P([O-])(=O)NC(=[NH2+])NCCS([O-])(=O)=O [O-]P([O-])(=O)NC(=[NH2+])NCCS([O-])(=O)=O is dianion of N-phosphotaurocyamine arising from deprotonation of phosphoramidate and sulfonate OH groups and protonation of the guanidino group; major species at pH 7.3. It is also related to or classified as organic phosphoramidate anion .
The molecule CC(=O)OP([O-])([O-])=O CC(=O)OP([O-])([O-])=O is acetyl phosphate(2-). It has the role of bacterial metabolite . It is also related to or classified as acyl monophosphate(2-)  .
The molecule [H][C@@]12C[C@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C [H][C@@]12C[C@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C is betamethasone. It has the role of anti-inflammatory drug . It has the role of immunosuppressive agent . It has the role of anti-asthmatic agent . It is also related to or classified as primary alpha-hydroxy ketone  . It is also related to or classified as tertiary alpha-hydroxy ketone  .    It is also related to or classified as 11beta-hydroxy steroid  .   It is also related to or classified as 3-oxo-Delta(1),Delta(4)-steroid  . It is also related to or classified as glucocorticoid , 17alpha-hydroxy steroid , 21-hydroxy steroid , 20-oxo steroid , fluorinated steroid .
The molecule CCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCC1=CC(C)OC1=O)O)O CCCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCC1=CC(C)OC1=O)O)O is artemoin D. It has the role of mouse metabolite . It has the role of plant metabolite . It has the role of rat metabolite . It is also related to or classified as artemoin .
The molecule [H]C(=O)C1=CC=C(C)O1 [H]C(=O)C1=CC=C(C)O1 is 5-methyl-2-furaldehyde. It has the role of EC 2.2.1.6 (acetolactate synthase) inhibitor . It has the role of flavouring agent . It has the role of Maillard reaction product . It has the role of human metabolite . It is also related to or classified as aldehyde  . It is also related to or classified as furans .
The molecule OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H](O)[C@H]1O OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H](O)[C@H]1O is an organophosphate oxoanion arising from deprotonation of the phosphate OH groups of 6-phospho-beta-D-glucosyl-(1->4)-D-glucose; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O is A disaccharide derivative that is (S)-naringenin substituted by a 2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. It has the role of metabolite . It has the role of antineoplastic agent . It has the role of anti-inflammatory agent . Its functional parent is (S)-naringenin . It is also related to or classified as 4'-hydroxyflavanones  . It is also related to or classified as (2S)-flavan-4-one  . It is also related to or classified as neohesperidoside  . It is also related to or classified as dihydroxyflavanone , disaccharide derivative .
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3O[C@@H](CC(=O)C3=C(O)C2O)C4=CC=CC=C4)CO O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3O[C@@H](CC(=O)C3=C(O)C2O)C4=CC=CC=C4)CO is (2S)-5,6,7-Trihydroxyflavanone 7-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule COc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccc(O)cc1 COc1cc(O)c2C(=O)C[C@H](Oc2c1)c1ccc(O)cc1 is A flavonoid phytoalexin that is (S)-naringenin in which the hydroxy group at position 7 is replaced by a methoxy group. It has the role of antimycobacterial drug . It has the role of plant metabolite . Its functional parent is (S)-naringenin . It is also related to or classified as 4'-hydroxyflavanones  . It is also related to or classified as (2S)-flavan-4-one  . It is also related to or classified as monomethoxyflavanone , dihydroxyflavanone , flavonoid phytoalexin .
The molecule C[C@H](O)[C@H](O)[C@@H](O)C(=O)COP([O-])([O-])=O C[C@H](O)[C@H](O)[C@@H](O)C(=O)COP([O-])([O-])=O is an organophosphate oxoanion arising from deprotonation of the phosphate OH groups of L-rhamnulose 1-phosphate; major species at pH 7.3. It is also related to or classified as organophosphate oxoanion .
The molecule O(C1=CC=2C(O)=CC(=CC2[O+]=C1C=3C=CC(=CC3)O)O)[C@@H]4O[C@H](CO)[C@H]([C@@H]([C@H]4O[C@H]5[C@@H]([C@@H](O)[C@@H]([C@H](O5)CO)O)O)O)O O(C1=CC=2C(O)=CC(=CC2[O+]=C1C=3C=CC(=CC3)O)O)[C@@H]4O[C@H](CO)[C@H]([C@@H]([C@H]4O[C@H]5[C@@H]([C@@H](O)[C@@H]([C@H](O5)CO)O)O)O)O is an anthocyanidin 3-O-sophoroside derived from pelargonidin. It has the role of mouse metabolite . It has the role of plant metabolite . It has the role of rat metabolite . Its functional parent is pelargonidin . It is also related to or classified as anthocyanidin 3-O-sophoroside  .
The molecule O=C/1N[C@H](C(=O)N(\C1=C/C2=CC=C(OC)C=C2)C)CC3=CC=CC=C3 O=C/1N[C@H](C(=O)N(\C1=C/C2=CC=C(OC)C=C2)C)CC3=CC=CC=C3 is XR-335. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CO[C@@H](\C=C\C1=CSC(=N1)C1=CSC(=N1)[C@@H](C)\C=C\C=C\C(C)C)[C@@H](C)C(\OC)=C/C(N)=O CO[C@@H](\C=C\C1=CSC(=N1)C1=CSC(=N1)[C@@H](C)\C=C\C=C\C(C)C)[C@@H](C)C(\OC)=C/C(N)=O is A 2,4'-bi-1,3-thiazole substituted at the 4-position with a (1E,3S,4R,5E)-7-amino-3,5-dimethoxy-4-methyl-7-oxohepta-1,5-dien-1-yl] group and at the 2'-position with a (2S,3E,5E)-7-methylocta-3,5-dien-2-yl group. It is an inhibitor of coenzyme Q - cytochrome c reductase. It has the role of geroprotector . It has the role of mitochondrial respiratory-chain inhibitor . It has the role of bacterial metabolite . It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as 1,3-thiazoles .
The molecule NC(=O)CC[C@H](NC(=O)Cc1ccccc1)C([O-])=O NC(=O)CC[C@H](NC(=O)Cc1ccccc1)C([O-])=O is an N-acyl-L-alpha-amino acid anion that is the conjugate base of N(2)-phenylacetyl-L-glutamine; major species at pH 7.3. It has the role of human metabolite . It is also related to or classified as N-acyl-L-alpha-amino acid anion  .
The molecule C1(=C(C=C(C=C1)C[NH2+]CCC2=CC=C(C=C2)O)O)O C1(=C(C=C(C=C1)C[NH2+]CCC2=CC=C(C=C2)O)O)O is an organic cation obtained by protonation of the secondary amino group of norbelladine; major species at pH 7.3. It is a conjugate acid of norbelladine . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule F[Ag-](F)(F)F F[Ag-](F)(F)F is tetrafluoroargentate(1-). It is also related to or classified as silver coordination entity , perfluorometallate anion .
The molecule S(S[C@@]12N(C(=O)[C@@](O)(CO)N(C1=O)C)[C@@H]3[C@@H](OC(=O)C)C=CC=C3C2)[C@@]4(N(C(=O)[C@]5(O)CC=6[C@H](N5C4=O)[C@@H](OC(=O)C)C=CC6)C)CO S(S[C@@]12N(C(=O)[C@@](O)(CO)N(C1=O)C)[C@@H]3[C@@H](OC(=O)C)C=CC=C3C2)[C@@]4(N(C(=O)[C@]5(O)CC=6[C@H](N5C4=O)[C@@H](OC(=O)C)C=CC6)C)CO is Dechdigliotoxin C. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule [H]C(CO)=C(C)CCC([H])=C(C)CCC=C(C)C [H]C(CO)=C(C)CCC([H])=C(C)CCC=C(C)C is A farnesane sesquiterpenoid that is dodeca-2,6,10-triene substituted by methyl groups at positions 3, 7 and 11 and a hydroxy group at position 1. It has the role of antimicrobial agent . It has the role of plant metabolite . It has the role of fungal metabolite . It is also related to or classified as primary alcohol  . It is also related to or classified as polyprenol , farnesane sesquiterpenoid .
The molecule FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)F FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)F is perfluoro-2-butyltetrahydrofuran. It is also related to or classified as organofluorine compound  . It is also related to or classified as alkyltetrahydrofuran .
The molecule OC(CCCCCCCCCCC(CCCCCC)O)=O OC(CCCCCCCCCCC(CCCCCC)O)=O is A hydroxy fatty acid that is stearic acid bearing a hydroxy substituent at position 12. It has the role of plant metabolite . It has the role of bacterial xenobiotic metabolite . It is a conjugate acid of 12-hydroxyoctadecanoate .  It is also related to or classified as secondary alcohol  . It is also related to or classified as hydroxyoctadecanoic acid .
The molecule CC(C)(C)NCC(O)c1ccc(O)c(CO)c1 CC(C)(C)NCC(O)c1ccc(O)c(CO)c1 is A member of the class of phenylethanolamines that is 4-(2-amino-1-hydroxyethyl)-2-(hydroxymethyl)phenol having a tert-butyl group attached to the nirogen atom. It acts as a beta-adrenergic agonist used in the treatment of asthma and chronic obstructive pulmonary disease (COPD). It has the role of beta-adrenergic agonist . It has the role of bronchodilator agent . It has the role of xenobiotic . It has the role of environmental contaminant .  It is also related to or classified as phenols  . It is also related to or classified as phenylethanolamines , secondary amino compound .
The molecule NC(=O)CCC(NC(=O)Cc1ccccc1)C(O)=O NC(=O)CCC(NC(=O)Cc1ccccc1)C(O)=O is N(2)-phenylacetylglutamine. Its functional parent is glutamine . It is also related to or classified as dicarboxylic acid monoamide .
The molecule C1(OCC(=C1)N(CC(F)F)CC=2C=CC(=NC2)Cl)=O C1(OCC(=C1)N(CC(F)F)CC=2C=CC(=NC2)Cl)=O is A tertiary amino compound that is ammonia in which the nitrogens have been replaced by (6-chloropyridin-3-yl)methyl, 2,2-difluoroethyl, and 5-oxo-2,5-dihydrofuran-3-yl groups, respectively. A nicotinic acetylcholine receptor (AChR) agonist, it is used as an insecticide to control sucking pests in a variety of crops. It has the role of insecticide . It has the role of nicotinic acetylcholine receptor agonist .  It is also related to or classified as monochloropyridine  . It is also related to or classified as enamine  . It is also related to or classified as butenolide  . It is also related to or classified as organofluorine insecticide , tertiary amino compound .
The molecule Cc1ccc(C)c(C)c1C Cc1ccc(C)c(C)c1C is A tetramethylbenzene that consists of benzene substituted by methyl groups at positions 1, 2, 3 and 4. It is also related to or classified as tetramethylbenzene  .
The molecule S(S[C@@]12N(C(=O)[C@@](SC)(CO)N(C1=O)C)[C@@H]3[C@@H](O)C=CC=C3C2)[C@@]4(N(C(=O)[C@]5(O)CC=6[C@H](N5C4=O)[C@@H](OC(=O)C)C=CC6)C)CO S(S[C@@]12N(C(=O)[C@@](SC)(CO)N(C1=O)C)[C@@H]3[C@@H](O)C=CC=C3C2)[C@@]4(N(C(=O)[C@]5(O)CC=6[C@H](N5C4=O)[C@@H](OC(=O)C)C=CC6)C)CO is Dechdigliotoxin B. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC=C(OC)C=C4)CO[C@@H]5OC([C@H](OC(=O)C)[C@H](O)C5O)C O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C=C3OC(=CC(=O)C3=C(O)C2)C4=CC=C(OC)C=C4)CO[C@@H]5OC([C@H](OC(=O)C)[C@H](O)C5O)C is Acacetin 7-(4'''-acetylrutinoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule F[Mo--]1(F)(F)(F)(=O)OO1 F[Mo--]1(F)(F)(F)(=O)OO1 is tetrafluoro(oxo)peroxomolybdate(2-). It is also related to or classified as molybdenum coordination entity , fluorooxometallate anion .
The molecule C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4C(=O)C[C@H](Oc4c3)c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc(O)c4C(=O)C[C@H](Oc4c3)c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O is A disaccharide derivative that is (S)-naringenin substituted by a 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. It has the role of antioxidant . It has the role of metabolite . It has the role of anti-inflammatory agent . Its functional parent is (S)-naringenin . It is also related to or classified as 4'-hydroxyflavanones  . It is also related to or classified as (2S)-flavan-4-one  . It is also related to or classified as rutinoside  . It is also related to or classified as dihydroxyflavanone , disaccharide derivative .
The molecule CC(C)=O CC(C)=O is A methyl ketone that consists of propane bearing an oxo group at C2. It has the role of polar aprotic solvent . It has the role of human metabolite . It has the role of EC 3.5.1.4 (amidase) inhibitor . It is also related to or classified as volatile organic compound , propanones , methyl ketone , ketone body .
The molecule C1(=C(C=C2C(=C1)[C@]34[C@]([NH+](C2)CC3)(CC(C=C4)=O)[H])O)OC C1(=C(C=C2C(=C1)[C@]34[C@]([NH+](C2)CC3)(CC(C=C4)=O)[H])O)OC is an organic cation obtained by protonation of the tertiary amino group of (4aR,10bS)-noroxomaritidine; major species at pH 7.3. It is a conjugate acid of (4aR,10bS)-noroxomaritidine . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule O=C1NC=2C(C(=O)[C@H]3OC3(C)C)=CC=CC2[C@]14[C@](C=O)([C@H]5C[C@H]6C[C@H](OC(=O)CCC)C[C@@H](N6C[C@@]5(C4)NC)C)C O=C1NC=2C(C(=O)[C@H]3OC3(C)C)=CC=CC2[C@]14[C@](C=O)([C@H]5C[C@H]6C[C@H](OC(=O)CCC)C[C@@H](N6C[C@@]5(C4)NC)C)C is [(1'R,3R,3'aS,6'S,8'R,9'aS,10'aR)-7-[(2S)-3,3-dimethyloxirane-2-carbonyl]-1'-ormyl-1',6'-dimethyl-3'a-(methylamino)-2-oxospiro[1H-indole-3,2'-4,6,7,8,9,9a,10,10a-octahydro-3H-cyclopenta[b]quinolizine]-8'-yl] butanoate. Its functional parent is delta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C(O)C[C@]34C)[C@@H]1CC[C@@H]2O C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C(O)C[C@]34C)[C@@H]1CC[C@@H]2O is an androstanoid that is testosterone substituted at C2  by a hydroxy group with undefined stereochemistry. Its functional parent is testosterone . It is also related to or classified as secondary alpha-hydroxy ketone  . It is also related to or classified as 17beta-hydroxy steroid  .  It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as 2-hydroxy steroid , androstanoid .
The molecule O1C([C@@H]2[C@@]3(O)C=4C(=CC=C5C4C=6[C@@H]1O[C@]7(OC)[C@]([C@@]8(C([C@@]9%10O[C@@H]9[C@@H](O)[C@H](OC%10CC8)C(=C)C)CC7)C)(C)C6N5)CC([C@H]3C2)=C)(C)C O1C([C@@H]2[C@@]3(O)C=4C(=CC=C5C4C=6[C@@H]1O[C@]7(OC)[C@]([C@@]8(C([C@@]9%10O[C@@H]9[C@@H](O)[C@H](OC%10CC8)C(=C)C)CC7)C)(C)C6N5)CC([C@H]3C2)=C)(C)C is Rhizovarin C. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C1(=C(C=C2C(=C1)[C@@]34[C@@]([NH+](C2)CC3)(CC(C=C4)=O)[H])O)OC C1(=C(C=C2C(=C1)[C@@]34[C@@]([NH+](C2)CC3)(CC(C=C4)=O)[H])O)OC is an organic cation obtained by protonation of the tertiary amino group of (4aS,10bR)-noroxomaritidine; major species at pH 7.3. It is a conjugate acid of (4aS,10bR)-noroxomaritidine . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule S(S[C@@]12N(C(=O)[C@@](SC)(CO)N(C1=O)C)[C@@H]3[C@@H](OC(=O)C)C=CC=C3C2)[C@@]4(N(C(=O)[C@]5(O)CC=6[C@H](N5C4=O)[C@@H](OC(=O)C)C=CC6)C)CO S(S[C@@]12N(C(=O)[C@@](SC)(CO)N(C1=O)C)[C@@H]3[C@@H](OC(=O)C)C=CC=C3C2)[C@@]4(N(C(=O)[C@]5(O)CC=6[C@H](N5C4=O)[C@@H](OC(=O)C)C=CC6)C)CO is Dechdigliotoxin A. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)O[C@@H]1[C@H](O)[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H]1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)O[C@@H]1[C@H](O)[C@H](OP([O-])([O-])=O)[C@@H](OP([O-])([O-])=O)[C@H](OP([O-])([O-])=O)[C@H]1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC is A 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate(7-) in which the phosphatidyl acyl groups at positions 1 and 2 are specified as stearoyl and arachidonoyl respectively. It is also related to or classified as 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate(7-)  .
The molecule OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)[C@H]1O OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)[C@H]1O is A disaccharide consisting of beta-D-glucuronic acid linked (1->3) to a beta-D-galactose residue. It has the role of epitope . It is also related to or classified as glucuronic acids , glycosylgalactose .
The molecule C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c(O)cc(O)c3c2oc(cc3=O)-c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2c2c(O)cc(O)c3c2oc(cc3=O)-c2ccc(O)cc2)[C@H](O)[C@H](O)[C@H]1O is A derivative of vitexin having an alpha-L-rhamnosyl residue attached at the 2''-position of the glucitol moiety. It has the role of plant metabolite . Its functional parent is vitexin . It is a conjugate acid of vitexin 2''-O-alpha-L-rhamnoside(1-) . It is also related to or classified as C-glycosyl compound , trihydroxyflavone , disaccharide derivative .
The molecule C1(=C(C=C(C=C1)C[NH2+]CCC2=CC=C(C=C2)O)O)OC C1(=C(C=C(C=C1)C[NH2+]CCC2=CC=C(C=C2)O)O)OC is an organic cation obtained by protonation of the secondary amino group of 4'-O-methylnorbelladine; major species at pH 7.3. It is a conjugate acid of 4'-O-methylnorbelladine . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule O=C1N[C@H](C(=O)N2[C@]1(O)CCC2)CC(C)C O=C1N[C@H](C(=O)N2[C@]1(O)CCC2)CC(C)C is Cyclo(2-OH-D-Pro-L-Leu). Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O is A flavanone 7-O-beta-D-glucoside that is (S)-naringenin substituted by a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. It has the role of metabolite . It has the role of antibacterial agent . It has the role of hypoglycemic agent . It has the role of antilipemic drug . Its functional parent is (S)-naringenin .  It is also related to or classified as 4'-hydroxyflavanones  . It is also related to or classified as (2S)-flavan-4-one  . It is also related to or classified as flavanone 7-O-beta-D-glucoside , dihydroxyflavanone , monosaccharide derivative .
The molecule FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1CCCO1 FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1CCCO1 is 2-perfluorobutyltetrahydrofuran. It is also related to or classified as organofluorine compound  . It is also related to or classified as alkyltetrahydrofuran .
The molecule CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](OS(O)(=O)=O)[C@H]3O)C(O)=O)[C@H]2O)[C@@H]1O CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](OS(O)(=O)=O)[C@H]3O)C(O)=O)[C@H]2O)[C@@H]1O is an amino trisaccharide consisting of a 3-O-sulfo-beta-D-glucuronic acid residue, a D-galactosyl residue and an N-acetyl-D-glucosamine residue (at the reducing end) in a linear sequence. It is a conjugate acid of beta-D-GlcA3S-(1->3)-beta-D-Gal-(1->4)-D-GlcNAc(2-) . It is also related to or classified as glucosamine oligosaccharide , oligosaccharide sulfate , amino trisaccharide .