anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@@H]2NC(=O)[C@H](NC(=O)[C@@H]3NC(=O)[C@H]4NC(=O)[C@@H](Cc5ccc(Oc6cc3cc(Oc3ccc1cc3Cl)c6O)c(Cl)c5)NC(=O)[C@H](N)c1ccc(O)c(Oc3cc(O)cc4c3)c1)c1ccc(O)c(c1)-c1c(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc(O)cc1[C@H](NC2=O)C(O)=O CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@@H]2NC(=O)[C@H](NC(=O)[C@@H]3NC(=O)[C@H]4NC(=O)[C@@H](Cc5ccc(Oc6cc3cc(Oc3ccc1cc3Cl)c6O)c(Cl)c5)NC(=O)[C@H](N)c1ccc(O)c(Oc3cc(O)cc4c3)c1)c1ccc(O)c(c1)-c1c(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cc(O)cc1[C@H](NC2=O)C(O)=O is A glycopeptide consisting of a macropolycyclic heptapeptide in which a phenolic hydroxy group has been converted to its alpha-D-mannoside while a secondary alcohol group has been converted to the corresponding 2-acetamido-2-deoxy-beta-D-glucoside. It has the role of bacterial metabolite .  It is also related to or classified as glycopeptide  .    It is also related to or classified as macrocycle  . It is also related to or classified as acetamides , polyol , polyphenol , aromatic ether , monochlorobenzenes .
The molecule [H]C(C)=C([H])C(=O)CC [H]C(C)=C([H])C(=O)CC is an enone that is hex-2-ene in which the two methylene hydrogens at position 4 have been replaced by an oxo group. It has the role of flavouring agent . It has the role of plant metabolite . It has the role of human metabolite . It is also related to or classified as enone  .
The molecule C1[C@@]2([C@]3(CC[C@]4(C)[C@@]5(C(C)=O)[C@@H](C[C@]4([C@@]3(CC=C2C[C@H](C1)O)[H])[H])O5)[H])C C1[C@@]2([C@]3(CC[C@]4(C)[C@@]5(C(C)=O)[C@@H](C[C@]4([C@@]3(CC=C2C[C@H](C1)O)[H])[H])O5)[H])C is an epoxy steroid that is pregnenolone which has an epoxy group whose oxygen is attached to the 16alpha and 17alpha-positions.  It is also related to or classified as sterol  . It is also related to or classified as 3beta-hydroxy-Delta(5)-steroid  .  It is also related to or classified as C21-steroid  . It is also related to or classified as epoxy steroid , 20-oxo steroid .
The molecule O1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1COS(O)(=O)=O)O[C@@H]2O[C@H]([C@H]([C@@H]([C@H]2OS(O)(=O)=O)O)O)C(=O)O)O)N)O O1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1COS(O)(=O)=O)O[C@@H]2O[C@H]([C@H]([C@@H]([C@H]2OS(O)(=O)=O)O)O)C(=O)O)O)N)O is A heparin disaccharide that is 6-O-sulfo-alpha-D-glucosamine in which the hydroxy group at position 4 has been glycosylated by 2-O-sulfo-alpha-L-idopyranuronic acid. Sequence: IdoA(2-OSO3)-GlcN(6-OSO3). It is also related to or classified as heparin disaccharide , amino disaccharide , oligosaccharide sulfate .
The molecule CCN(CC)C(=O)c1cccc(C)c1 CCN(CC)C(=O)c1cccc(C)c1 is A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of m-toluic acid with the nitrogen of diethylamine. First developed by the U.S. Army in 1946 for use by military personnel in insect-infested areas, it is the most widely used insect repellent worldwide. It has the role of xenobiotic . It has the role of insect repellent . It has the role of environmental contaminant . Its functional parent is m-toluic acid .  It is also related to or classified as monocarboxylic acid amide  . It is also related to or classified as benzamides .
The molecule C(=C/CCCCCCCC/C=C\CCC)\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCCCC)=O)CO C(=C/CCCCCCCC/C=C\CCC)\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCCCC)=O)CO is A ceramide obtained by formal condensation of the carboxy group of icosanoic acid with the amino group of (4E,14Z)-sphinga-4,14-dienine. It has the role of Papio hamadryas metabolite . Its functional parent is icosanoic acid . It is also related to or classified as N-acyl-(4E,14Z)-sphingadienine  .
The molecule Cn1cncc1C[C@H](NC(=O)CC[NH3+])C([O-])=O Cn1cncc1C[C@H](NC(=O)CC[NH3+])C([O-])=O is zwitterionic form of anserine. It has the role of animal metabolite . It is also related to or classified as zwitterion  .
The molecule O(C1C(O)C(OC(OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)C1O)CO)C5OC(C(O)C(O)C5O)CO O(C1C(O)C(OC(OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)C1O)CO)C5OC(C(O)C(O)C5O)CO is Quercetin 3-beta-laminaribioside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule [C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)S/C(=N\OS(O)(=O)=O)/CC(CC)C [C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)S/C(=N\OS(O)(=O)=O)/CC(CC)C is an  alkylglucosinolic acid that consists of 1-thio-beta-D-glucopyranose attached to a 3-methyl-N-(sulfooxy)pentanimidoyl group at the anomeric sulfur. It is a conjugate acid of 2-methylbutylglucosinolate . It is also related to or classified as alkylglucosinolic acid .
The molecule C1[C@@]2([C@]3(CC[C@]4(C)[C@@H](C(C)=O)CC[C@]4([C@@]3(CC=C2C[C@H](C1)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)[H])[H])[H])C C1[C@@]2([C@]3(CC[C@]4(C)[C@@H](C(C)=O)CC[C@]4([C@@]3(CC=C2C[C@H](C1)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)[H])[H])[H])C is A sterol 3-beta-D-glucoside in which the sterol is 3beta-hydroxypregn-5-en-20-one. Its functional parent is pregnenolone .  It is also related to or classified as sterol 3-beta-D-glucoside  . It is also related to or classified as 20-oxo steroid , monosaccharide derivative .
The molecule [NH3+]C(Cc1ccc(O)cc1)C(O)=O [NH3+]C(Cc1ccc(O)cc1)C(O)=O is an alpha-amino-acid cation that is the conjugate acid of tyrosine, arising from protonation of the amino group. It is a conjugate acid of tyrosine . It is also related to or classified as alpha-amino-acid cation .
The molecule C1(C)(C)C(\C=C\C(=C\C=C\C(=C\COC(CCCCCCCCCCCCC)=O)\C)\C)=C(C)CCC1 C1(C)(C)C(\C=C\C(=C\C=C\C(=C\COC(CCCCCCCCCCCCC)=O)\C)\C)=C(C)CCC1 is an all-trans-retinyl ester obtained by formal condensation of the carboxy group of tetradecanoic acid with the hydroxy group of all-trans-retinol. It has the role of human xenobiotic metabolite . It is also related to or classified as all-trans-retinyl ester  . It is also related to or classified as tetradecanoate ester  .
The molecule [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])[C@H](C[C@@]21C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@](C)(CCC=C(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])[C@H](C[C@@]21C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@](C)(CCC=C(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O is A ginsenoside found in Panax ginseng and Panax japonicus var. major that is dammarane which is substituted by hydroxy groups at the 3beta, 6alpha, 12beta and 20 pro-S positions, in which the hydroxy groups at positions 6 and 20 have been converted to the corresponding beta-D-glucopyranosides, and in which a double bond has been introduced at the 24-25 position. It has the role of neuroprotective agent . It has the role of pro-angiogenic agent . It is also related to or classified as 3beta-hydroxy-4,4-dimethylsteroid  . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as tetracyclic triterpenoid , 12beta-hydroxy steroid , ginsenoside .
The molecule O1[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1OC2=C(C(O)=CC(O)=C2O)C(=O)\C(\O)=C\C3=CC(O)=C(O)C=C3)CO O1[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1OC2=C(C(O)=CC(O)=C2O)C(=O)\C(\O)=C\C3=CC(O)=C(O)C=C3)CO is 3,4,2',3',4',6',alpha-Heptahydroxychalcone 2'-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C(=C/CCCCCCCCCCCCC)\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCCCCCCCCC)=O)CO C(=C/CCCCCCCCCCCCC)\[C@@H](O)[C@@H](NC(CCCCCCCCCCCCCCCCCCCCCCCC)=O)CO is A N-acylsphingosine in which the ceramide N-acyl group is specified as pentacosanoyl. It has the role of Papio hamadryas metabolite . It has the role of rat metabolite . Its functional parent is pentacosanoic acid . It is also related to or classified as Cer(d43:1)  . It is also related to or classified as N-acylsphingosine  .
The molecule C1(=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1C)NO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O C1(=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1C)NO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O is 2-hydroxylamino-4,6-dinitrotoluene-O-beta-D-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as nitrotoluene .
The molecule CC(=O)c1c(O)c2C(=O)c3c(O)cc(O)cc3Cc2cc1\C=C(\O)CC([O-])=O CC(=O)c1c(O)c2C(=O)c3c(O)cc(O)cc3Cc2cc1\C=C(\O)CC([O-])=O is A hydroxy monocarboxylic acid anion that is the conjugate base of tetracenomycin F2, obtained by deprotonation of the carboxy group. It is a conjugate acid of tetracenomycin F2(2-) . It is also related to or classified as oxo monocarboxylic acid anion , hydroxy monocarboxylic acid anion .
The molecule N\C=C/S(O)(=O)=O N\C=C/S(O)(=O)=O is A 2-aminoethene-1-sulfonic acid in which the double bond adopts (Z)-configuration. It is a conjugate acid of (Z)-2-aminoethene-1-sulfonate . It is also related to or classified as 2-aminoethene-1-sulfonic acid  .
The molecule [C@]12([C@]3([C@@]([C@@]4(C(C[C@@H](O)CC4)=CC3)C)(CC[C@]2(C)[C@]5([C@@H]([C@]6(O[C@]5(C1)[H])CC[C@@H](C)C[NH2+]6)C)[H])[H])[H])[H] [C@]12([C@]3([C@@]([C@@]4(C(C[C@@H](O)CC4)=CC3)C)(CC[C@]2(C)[C@]5([C@@H]([C@]6(O[C@]5(C1)[H])CC[C@@H](C)C[NH2+]6)C)[H])[H])[H])[H] is A secondary ammonium ion resulting from the protonation of the amino group of solasodine. The major species at pH 7.3. It has the role of antispermatogenic agent . It has the role of antioxidant . It has the role of antiinfective agent . It has the role of antipyretic . It has the role of antineoplastic agent . It has the role of anticonvulsant . It has the role of antifungal agent . It has the role of apoptosis inducer . It is a conjugate acid of solasodine . It is also related to or classified as secondary ammonium ion  .
The molecule CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\COP([O-])(=O)OP([O-])([O-])=O CC(C)CCCC(C)CCCC(C)CCC\C(C)=C\COP([O-])(=O)OP([O-])([O-])=O is the trianion of phytyl diphosphate. It is also related to or classified as organophosphate oxoanion .
The molecule N(S(O)(=O)=O)[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)O[C@@H]2O[C@H]([C@H]([C@@H]([C@H]2O)O)O)C(=O)O)COS(O)(=O)=O)O N(S(O)(=O)=O)[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)O[C@@H]2O[C@H]([C@H]([C@@H]([C@H]2O)O)O)C(=O)O)COS(O)(=O)=O)O is A heparin disaccharide that is 2N,6-O-disulfo-alpha-D-glucosamine in which the hydroxy group at position 4 has been glycosylated by alpha-L-idopyranuronic acid. Sequence: IdoA-GlcNSO3(6-OSO3). Its functional parent is HP_dp02_0003 . It is also related to or classified as heparin disaccharide , amino disaccharide , oligosaccharide sulfate .
The molecule ClC1=C(O)C=C2CC(=CC=C[C@@H](OC)[C@]3(O)NC(O[C@H]([C@H]([C@H]4[C@]([C@H](CC(N(C1=C2)[C@H]5O[C@H]([C@H](O)[C@H]([C@@H]5O)OC)CO)=O)OC(=O)NC)(O4)C)C)C3)=O)C ClC1=C(O)C=C2CC(=CC=C[C@@H](OC)[C@]3(O)NC(O[C@H]([C@H]([C@H]4[C@]([C@H](CC(N(C1=C2)[C@H]5O[C@H]([C@H](O)[C@H]([C@@H]5O)OC)CO)=O)OC(=O)NC)(O4)C)C)C3)=O)C is Ansacarbamitocin E. It is also related to or classified as O-acyl carbohydrate , fatty acid derivative .
The molecule C12=CC3=C(C=C1[C@H]([C@@]4([C@@]([C@@H]2CCN(CCN(C)C)C)(COC4=O)[H])[H])C=5C=C(C(=C(C5)OC)O)OC)OCO3 C12=CC3=C(C=C1[C@H]([C@@]4([C@@]([C@@H]2CCN(CCN(C)C)C)(COC4=O)[H])[H])C=5C=C(C(=C(C5)OC)O)OC)OCO3 is A furonaphthodioxole that is 4'-demethyldeoxypodophyllotoxin which is substituted at position 4 of the C-ring by a 2-{[2-(dimethylamino)ethyl](methyl)amino}ethyl group. While structurally related to etoposide, TOP-53 is significantly more toxic to non-small cell lung cancer cells, more active at generating chromosomal breaks, and displays improved cellular uptake and pharmacokinetics in animal lung tissues. It has the role of antineoplastic agent . It has the role of EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor . It is also related to or classified as phenols  . It is also related to or classified as gamma-lactone  . It is also related to or classified as furonaphthodioxole  . It is also related to or classified as tertiary amino compound , organic heterotetracyclic compound .
The molecule Cl[H].ClCC1=NCCN1 Cl[H].ClCC1=NCCN1 is A hydrochloride salt having 2-(chloromethyl)-4,5-dihydro-1H-imidazole as the basic component. It is also related to or classified as hydrochloride .
The molecule CC1=CC=C(CO)C=C1C CC1=CC=C(CO)C=C1C is A methylbenzyl alcohol that is benzyl alcohol substituted by methyl groups at positions 3 and 4. It has the role of plant metabolite .  It is also related to or classified as aromatic primary alcohol  . It is also related to or classified as methylbenzyl alcohol .
The molecule [H]\C(C)=C/C([O-])=O [H]\C(C)=C/C([O-])=O is the conjugate base of crotonic acid; used by some bacterial species as a carbon and energy source. It is also related to or classified as but-2-enoate  .
The molecule [H]C(=O)CCCCCC\C=C/CCCCCCCC [H]C(=O)CCCCCC\C=C/CCCCCCCC is an 8-heptadecenal in which the double bond at position 8 adopts a cis-configuration. It has the role of marine metabolite . It has the role of plant metabolite . It has the role of algal metabolite . It is also related to or classified as 8-heptadecenal  .
The molecule CC(C)c1ccccc1O CC(C)c1ccccc1O is A member of the class of  phenols carrying an isopropyl group at position 2. It is also related to or classified as phenols  .
The molecule [H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@@H](C)C[NH2+]1)O2)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O [H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C[C@H](CC[C@]5(C)[C@@]4([H])CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@@H](C)C[NH2+]1)O2)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O is A secondary ammonium ion resulting from the protonation of the amino group of solasodine 3-beta-D-glucoside. The major species at pH 7.3. It is a conjugate acid of solasodine 3-beta-D-glucoside . It is also related to or classified as secondary ammonium ion  .
The molecule C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4CO)[C@@H]3O)[C@H](NC(C)=O)[C@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4CO)[C@@H]3O)[C@H](NC(C)=O)[C@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O is A branched pentasaccharide comprising a linear chain of alpha-L-fucosyl, beta-D-glucosaminyl, beta-D-galactosyl and alpha-D-glucose residues linked sequentially (1->4), (1->3) and (1->4), to the glucosaminyl residue of which is also linked (1->3) an alpha-D-galactosyl residue. It is also related to or classified as amino pentasaccharide .
The molecule N(S(O)(=O)=O)[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)O[C@@H]2O[C@H]([C@H]([C@@H]([C@H]2O)O)O)C(=O)O)CO)O N(S(O)(=O)=O)[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)O[C@@H]2O[C@H]([C@H]([C@@H]([C@H]2O)O)O)C(=O)O)CO)O is A heparin disaccharide that is N-sulfo-alpha-D-glucosamine in which the hydroxy group at position 4 has been glycosylated by alpha-L-idopyranuronic acid.  Sequence: IdoA-GlcNSO3. It is also related to or classified as heparin disaccharide , amino disaccharide , sulfamic acids .
The molecule COC1=C(OCCCN2CCOCC2)C=CC2=C1N=C(NC(=O)C1=CN=C(N)N=C1)N1CCN=C21 COC1=C(OCCCN2CCOCC2)C=CC2=C1N=C(NC(=O)C1=CN=C(N)N=C1)N1CCN=C21 is an imidazoquinazoline that is 2,3-dihydroimidazo[1,2-c]quinazoline substituted by (2-aminopyrimidine-5-carbonyl)amino, methoxy, and 3-(morpholin-4-yl)propoxy groups at positions 5, 7 and 8, respectively. It is a intravenous pan-class I PI3K inhibitor used for the treatment of relapsed follicular lymphoma in patients who have received at least 2 prior systemic therapies. It has the role of antineoplastic agent . It has the role of EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor . It has the role of apoptosis inducer . It is also related to or classified as secondary carboxamide  . It is also related to or classified as aromatic ether , aminopyrimidine , morpholines , diether , imidazoquinazoline , pyrimidinecarboxamide , tertiary amino compound .
The molecule CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@H]1[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)[NH+](C)C)[C@@H](C)C[C@@]2(CO2)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]1C CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@H]1[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)[NH+](C)C)[C@@H](C)C[C@@]2(CO2)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]1C is the conjugate acid of oleandomycin arising from protonation of the tertiary amino group; major species at pH 7.3. It is a conjugate acid of oleandomycin . It is also related to or classified as ammonium ion derivative .
The molecule CCCCCC(=O)\C=C\C=C/CCCCCCCCCC(O)=O CCCCCC(=O)\C=C\C=C/CCCCCCCCCC(O)=O is an oxoeicosadienoic acid that consists of 11Z,13E-oxoeicosadienoic acid with the oxo substituent located at position 15. It has the role of metabolite . Its functional parent is 15-HEDE . It is a conjugate acid of 15-oxo-EDE(1-) . It is also related to or classified as enone  . It is also related to or classified as OxoEDE .
The molecule [NH3+][C@@H](C(=O)N[C@H]1[C@H]2CCC(Cl)=C(N2C1=O)C([O-])=O)c1ccccc1 [NH3+][C@@H](C(=O)N[C@H]1[C@H]2CCC(Cl)=C(N2C1=O)C([O-])=O)c1ccccc1 is the zwitterionic form of loracarbef. It is also related to or classified as zwitterion  . It is also related to or classified as carbacephem  .
The molecule COc1ccc(cc1)-c1coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c1=O COc1ccc(cc1)-c1coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c1=O is A glycosyloxyisoflavone that is biochanin A attached to a  beta-D-glucopyranosyl residue at position 7 via glycosidic linkage. It has the role of plant metabolite . It has the role of phytoestrogen . Its functional parent is biochanin A . It is a conjugate acid of biochanin A 7-O-beta-D-glucoside(1-) . It is also related to or classified as 4'-methoxyisoflavones  . It is also related to or classified as 7-hydroxyisoflavones 7-O-beta-D-glucoside  . It is also related to or classified as hydroxyisoflavone .
The molecule [C@@]12([C@]3([C@@]([C@@]4(C(C[C@@H](O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)CC4)=CC3)C)(CC[C@@]1([C@@]([C@@H](/C=C/[C@@H](C(C)C)C)C)(CC2)[H])C)[H])[H])[H] [C@@]12([C@]3([C@@]([C@@]4(C(C[C@@H](O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)CC4)=CC3)C)(CC[C@@]1([C@@]([C@@H](/C=C/[C@@H](C(C)C)C)C)(CC2)[H])C)[H])[H])[H] is brassicasterol 3-beta-D-glucoside. Its functional parent is brassicasterol . It is also related to or classified as sterol 3-beta-D-glucoside  . It is also related to or classified as monosaccharide derivative .
The molecule CCOC1=CC(Cl)=C(CS(=O)(=O)C2=NOC(C)(C)C2)C=C1Cl CCOC1=CC(Cl)=C(CS(=O)(=O)C2=NOC(C)(C)C2)C=C1Cl is A dichlorobenzene that is benzene in which the hydrogens at positions 1, 2, 4 and 5 are replaced by [(5,5-dimethyl-4,5-dihydro-1,2-oxazol-3-yl)sulfonyl]methyl, chloro, ethoxy and chloro groups, respectively. It is a rice herbicide developed by Kumiai Chemical Industry Co. Ltd which displays excellent herbicidal activity against Echinochloa spp. and other annual weeds. It has the role of herbicide . It has the role of fatty acid synthesis inhibitor . It is also related to or classified as dichlorobenzene  .  It is also related to or classified as sulfone  . It is also related to or classified as isoxazoles  . It is also related to or classified as aromatic ether .
The molecule N(C(=O)C)[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)O[C@@H]2O[C@H]([C@H]([C@@H]([C@H]2O)O)O)C(=O)O)CO)O N(C(=O)C)[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)O[C@@H]2O[C@H]([C@H]([C@@H]([C@H]2O)O)O)C(=O)O)CO)O is A heparin disaccharide that is N-acetyl-alpha-D-glucosamine in which the hydroxy group at position 4 has been glycosylated by alpha-L-idopyranuronic acid. Sequence: IdoA-GlcNAc. It is also related to or classified as heparin disaccharide , amino disaccharide , oligosaccharide sulfate .
The molecule O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC=3O[C@@H](CC(=O)C3C=C2)C4=CC=CC=C4)CO O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=CC=3O[C@@H](CC(=O)C3C=C2)C4=CC=CC=C4)CO is (2S)-4-Oxo-2-phenyl-3,4-dihydro-2H-chromen-7-yl beta-D-glucopyranoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C(CCCCCCC\C=C/C=C/C(CCCCC)=O)CC(=O)[O-] C(CCCCCCC\C=C/C=C/C(CCCCC)=O)CC(=O)[O-] is A polyunsaturated oxo fatty acid anion that is the conjugate base of 15-oxo-EDE. It is also related to or classified as oxo fatty acid anion , organic molecular entity .
The molecule O1[C@@H]([C@@H](O)C(O)C(O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)COC(=O)C O1[C@@H]([C@@H](O)C(O)C(O)[C@@H]1OC2=C(OC=3C(C2=O)=C(O)C=C(O)C3)C4=CC(O)=C(O)C=C4)COC(=O)C is Quercetin 3-(6''-acetylglucoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C(CCCCCCC[C@@H](OO)/C=C/C=C\CCCCC)(=O)OC C(CCCCCCC[C@@H](OO)/C=C/C=C\CCCCC)(=O)OC is A hydroperoxy fatty ester that is the methyl ester of (9R,10E,12Z)-9-hydroperoxyoctadeca-10,12-dienoic acid. Its functional parent is methyl linoleate .   It is also related to or classified as methyl ester  . It is also related to or classified as hydroperoxy fatty ester , polyunsaturated fatty ester .
The molecule N(S(O)(=O)=O)[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)O[C@@H]2O[C@H]([C@H]([C@@H]([C@H]2OS(O)(=O)=O)O)O)C(=O)O)CO)O N(S(O)(=O)=O)[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)O[C@@H]2O[C@H]([C@H]([C@@H]([C@H]2OS(O)(=O)=O)O)O)C(=O)O)CO)O is A heparin disaccharide that is 2-N-sulfo-alpha-D-glucosamine in which the hydroxy group at position 4 has been glycosylated by 2-O-sulfo-alpha-L-idopyranuronic acid. Sequence: IdoA(2-OSO3)-GlcNSO3. Its functional parent is HP_dp02_0003 . It is also related to or classified as heparin disaccharide , amino disaccharide , oligosaccharide sulfate .
The molecule C(C(OC(=O)CCC(OC(C(O)C)=O)=O)=O)(O)C C(C(OC(=O)CCC(OC(C(O)C)=O)=O)=O)(O)C is succinyl lactate. Its functional parent is tetracarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule S1[C@@]23N(C(=O)[C@]4(SC)C[C@@H]5[C@H](N4C2=O)[C@@H](O)[C@@H](O)CC5=O)[C@@H]6[C@H]([C@H]1CC(=O)[C@@H]6C3)O S1[C@@]23N(C(=O)[C@]4(SC)C[C@@H]5[C@H](N4C2=O)[C@@H](O)[C@@H](O)CC5=O)[C@@H]6[C@H]([C@H]1CC(=O)[C@@H]6C3)O is 7-hydroxyeutypellazine F. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C(\C=C\C(C/C=C\C/C=C\CCCCCO)OO)=C\CCCC(OC)=O C(\C=C\C(C/C=C\C/C=C\CCCCCO)OO)=C\CCCC(OC)=O is A hydroperoxy fatty ester resulting from the formal condensation of the carboxy group of (5Z,7E,11Z,14Z)-9-hydroperoxy-20-hydroxyicosa-5,7,11,14-tetraenoic acid with methanol.   It is also related to or classified as fatty acid methyl ester  . It is also related to or classified as hydroperoxy fatty ester , omega-hydroxy fatty ester .
The molecule CCCCCCCCCCCCCCCCCC(=O)OCC(=O)COP([O-])([O-])=O CCCCCCCCCCCCCCCCCC(=O)OCC(=O)COP([O-])([O-])=O is A 1-acylglycerone 3-phosphate(2-) obtained by deprotonation of the phospho groups of 1-stearoylglycerone 3-phosphate; major species at pH 7.3. It is also related to or classified as 1-acylglycerone 3-phosphate(2-)  .
The molecule N[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)O[C@@H]2O[C@H]([C@H]([C@@H]([C@H]2O)O)O)C(=O)O)COS(O)(=O)=O)O N[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)O[C@@H]2O[C@H]([C@H]([C@@H]([C@H]2O)O)O)C(=O)O)COS(O)(=O)=O)O is A heparin disaccharide that is 6-O-sulfo-alpha-D-glucosamine in which the hydroxy group at position 4 has been glycosylated by alpha-L-idopyranuronic acid.  Sequence: IdoA-GlcN(6-OSO3). It is also related to or classified as heparin disaccharide , amino disaccharide , oligosaccharide sulfate .
The molecule [C@H]1(C[C@@H](O)CN1C)C(=O)O [C@H]1(C[C@@H](O)CN1C)C(=O)O is an L-proline derivative that is trans-4-hydroxy-L-proline in which the amino hydrogen has been replaced by a methyl group. It has the role of anti-HIV-1 agent . It has the role of plant metabolite . Its functional parent is trans-4-hydroxy-L-proline . It is also related to or classified as pyrrolidine alkaloid , L-proline derivative .
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=CC=3OC(=CC(=O)C3C=C2)C=4C(O)=CC=CC4)CO O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC2=CC=3OC(=CC(=O)C3C=C2)C=4C(O)=CC=CC4)CO is 7,2'-Dihydroxyflavone 7-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .