anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C3=CN(C=N3)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=CN(C=N3)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]-1-methyl-4-imidazolesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O([C@H]1[C@@H]([C@H]([C@H](O)[C@H](O1)CO)O)NC(=O)C)[C@@H]2[C@H](O[C@@H](O[C@@H]([C@@H]([C@H](C(=O)[O-])NC(=O)C)O)[C@H](O)CO)[C@@H]([C@H]2O)NC(=O)C)CO O([C@H]1[C@@H]([C@H]([C@H](O)[C@H](O1)CO)O)NC(=O)C)[C@@H]2[C@H](O[C@@H](O[C@@H]([C@@H]([C@H](C(=O)[O-])NC(=O)C)O)[C@H](O)CO)[C@@H]([C@H]2O)NC(=O)C)CO is spontaneous hydrolysis product of CHEBI:143144. It is also related to or classified as carbohydrate acid anion .
The molecule O1[C@@H]([C@@H]([C@H](C1=O)O)O)COP(O)(=O)O O1[C@@H]([C@@H]([C@H](C1=O)O)O)COP(O)(=O)O is A aldonolactone phosphate that is D-xylono-1,4-lactone carrying a single phospho substituent at position 5. Its functional parent is D-xylono-1,4-lactone . It is a conjugate acid of D-xylono-1,4-lactone-5-phosphate(2-) .  It is also related to or classified as gamma-lactone  . It is also related to or classified as aldonolactone phosphate .
The molecule CC(C)CCCC(C)CCCC(C)CCC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)([O-])[O-])O is a multi-methyl-branched fatty acyl-CoA(4-) arising from deprotonation of phosphate and diphosphate functions of 4,8,12-trimethyltridecanoyl-CoA. It has a role as a human metabolite. It is a conjugate base of a 4,8,12-trimethyltridecanoyl-CoA.
The molecule O1[C@@H](/C=C/C)[C@](O)([C@H]2CC[C@@H]3[C@@]2([C@H]1CC=4C5=C(C[C@@H](O)C[C@H](C5)O)C=CC34)C)C O1[C@@H](/C=C/C)[C@](O)([C@H]2CC[C@@H]3[C@@]2([C@H]1CC=4C5=C(C[C@@H](O)C[C@H](C5)O)C=CC34)C)C is Phomarol. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CCCCC(CC)COC(=O)C is an acetate ester that is hexyl acetate substituted by an ethyl group at position 2. It has a role as a metabolite. It derives from a hexan-1-ol.
The molecule CC1=NC2=C(OC(C3=CC=CC=C3)=O)C(Br)=CC(Br)=C2C=C1 CC1=NC2=C(OC(C3=CC=CC=C3)=O)C(Br)=CC(Br)=C2C=C1 is roxaldine (Brobenzoxaldine) is an antiprotozoal agent. Broxaldine inhibits Clostridium difficile with a MIC value of 4 uM, and has antifungal effects. It is also related to or classified as organic molecular entity .
The molecule [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCCCCC/C=C/C(=O)SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP(O)(O)=O)O)(=O)O)(=O)O)(C)C)O)=O [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCCCCC/C=C/C(=O)SCCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP(O)(O)=O)O)(=O)O)(=O)O)(C)C)O)=O is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#33. Its functional parent is oscr#33 . It is a conjugate acid of oscr#33-CoA(4-) . It is also related to or classified as acyl-CoA  .
The molecule C/C=C(\\C)/C(=O)O[C@@H]1C[C@@]2([C@H](O2)C[C@H](/C(=C/[C@@H]3[C@@H]1C(=C)C(=O)O3)/C)O)C is a sesquiterpene lactone that is a 3alpha-hydroxy epimer of heliangin. Isolated from Eupatorium kiirunense, it exhibits cytotoxicity against human oral epidermoid (KB), cervical epitheloid (Hela) and liver (hepa59T/VGH) carcinoma cells. It has a role as a metabolite and an antineoplastic agent. It is an enoate ester, an epoxide and a sesquiterpene lactone. It derives from a tiglic acid.
The molecule [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC2=O [H][C@@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC2=O is cyclo(L-Phe-L-Pro). It has the role of metabolite . It is also related to or classified as organic molecular entity .
The molecule O=C1N(C(C(=O)O)=CCN(C1C(O[C@@H]2O[C@H](CN)[C@H](C2)O)[C@H]3O[C@@H](N4C(=O)NC(=O)C=C4)C[C@@H]3O)C)C O=C1N(C(C(=O)O)=CCN(C1C(O[C@@H]2O[C@H](CN)[C@H](C2)O)[C@H]3O[C@@H](N4C(=O)NC(=O)C=C4)C[C@@H]3O)C)C is Muraminomicin Z2. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule CC(C1=CC=C(C=C1)C2CCCC(=NO)C2)C(=O)O is a monocarboxylic acid that is 2-phenylpropionic acid in which the phenyl group is substituted at the para position by a 3-(hydroxyimino)cyclohexyl group. It has a role as a non-steroidal anti-inflammatory drug. It is a monocarboxylic acid and a ketoxime. It derives from a hydratropic acid.
The molecule O=C1OC=2C=3C(C(OC)=CC2C4=C1C=C(C=C)C=C4OC)=C(O)C=CC3C5OC(C(O)C(C5O)N(C(=O)C)C)C O=C1OC=2C=3C(C(OC)=CC2C4=C1C=C(C=C)C=C4OC)=C(O)C=CC3C5OC(C(O)C(C5O)N(C(=O)C)C)C is FE35A. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)C)O)OC)OC(=O)C)O)O[C@H]3[C@H]([C@@H](O[C@H]([C@H]3O)C)O[C@@H]4[C@H]([C@@H](O[C@@H]([C@H]4O)CO)OCCCCCN)O)OC(=O)C [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)C)O)OC)OC(=O)C)O)O[C@H]3[C@H]([C@@H](O[C@H]([C@H]3O)C)O[C@@H]4[C@H]([C@@H](O[C@@H]([C@H]4O)CO)OCCCCCN)O)OC(=O)C is A tetrasaccharide derivative consisting of a beta-D-glucosyl residue glycosidically linked to a 5-aminopentyl group and which carries at O-3 a 2-O-acetyl-6-deoxy-3-O-methyl-alpha-L-talosyl-(1->3)-beta-D-glucosyl-(1->3)-2-O-acetyl-6-deoxy-alpha-L-talosyl trisaccharide unit. It is also related to or classified as glycoside  . It is also related to or classified as tetrasaccharide derivative .
The molecule [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@H](CN2C)C(=O)N[C@@]1(O[C@]2(O)N([C@@H](C(C)C)C(=O)N3CCC[C@@]23[H])C1=O)C(C)C [H][C@@]12Cc3c[nH]c4cccc(c34)[C@@]1([H])C[C@H](CN2C)C(=O)N[C@@]1(O[C@]2(O)N([C@@H](C(C)C)C(=O)N3CCC[C@@]23[H])C1=O)C(C)C is ergocornine in which a single bond replaces the double bond between positions 9 and 10. Its functional parent is ergocornine . It is also related to or classified as ergot alkaloid .
The molecule O[C@@H]1[C@H](O[C@@H](O[C@@H]([C@@H]([C@H](C(=O)[O-])NC(=O)C)O)[C@H](O)CO)[C@@H]([C@H]1O)NC(=O)C)CO O[C@@H]1[C@H](O[C@@H](O[C@@H]([C@@H]([C@H](C(=O)[O-])NC(=O)C)O)[C@H](O)CO)[C@@H]([C@H]1O)NC(=O)C)CO is spontaneous hydrolysis product of CHEBI:143145. It is also related to or classified as carbohydrate acid anion .
The molecule O(C[C@H]([C@@H]([C@H](C([O-])=O)O)O)O)P([O-])(=O)[O-] O(C[C@H]([C@@H]([C@H](C([O-])=O)O)O)O)P([O-])(=O)[O-] is A 4-hydroxy monocarboxylic acid anion obtained by deprotonation of the carboxy and phosphate OH groups of 5-phospho-D-xylonic acid. Major microspecies at pH 7.3. It is also related to or classified as 4-hydroxy monocarboxylic acid anion  . It is also related to or classified as organophosphate oxoanion .
The molecule C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)CC3=C(C=CC(=C3)F)F C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C)C(=O)N(C[C@@H]1OC)C)C)CC3=C(C=CC(=C3)F)F is N-[(5R,6S,9S)-8-[(2,5-difluorophenyl)methyl]-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]acetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O=C1C2=C(OC(C1)C3=CC=CC=C3)C(O)=C(O[C@H]4O[C@@H]([C@@H](O)[C@H](C4)NC(=O)[C@@H]([C@H](O)C)C)C)C=C2CO O=C1C2=C(OC(C1)C3=CC=CC=C3)C(O)=C(O[C@H]4O[C@@H]([C@@H](O)[C@H](C4)NC(=O)[C@@H]([C@H](O)C)C)C)C=C2CO is Actinoflavoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CC1=C2C=C(C=C(C2=CC=C1)C(=O)[O-])OC is a naphthoate that is the conjugate base of 3-methoxy-5-methyl-1-naphthoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It has a role as a bacterial metabolite. It is a conjugate base of a 3-methoxy-5-methyl-1-naphthoic acid.
The molecule C1=CC(=CC(=C1)Cl)NC2=C3C=CN=CC3=C4C=CC(=CC4=N2)C(=O)O C1=CC(=CC(=C1)Cl)NC2=C3C=CN=CC3=C4C=CC(=CC4=N2)C(=O)O is cX-4945 (Silmitasertib) is a potent and selective casein kinase 2 (CK2) inhibitor with IC50 value of 1 nM. It is ATP-competitive and can be taken orally. It is also related to or classified as organic molecular entity .
The molecule [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCCCCC/C=C/C(=O)[O-] [C@@H]1([C@@H](C[C@H]([C@@H](O1)C)O)O)OCCCCCCCCCCCCCCCC/C=C/C(=O)[O-] is A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#33, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as hydroxy fatty acid ascaroside anion .
The molecule COC1=C(C=CC(=C1)CCC(=O)O)O is a monocarboxylic acid that is propanoic acid in which one of the hydrogens at position 3 has been replaced by a 4-hydroxy-3-methoxyphenyl group. It has a role as a human xenobiotic metabolite, a plant metabolite, a mouse metabolite and an antioxidant. It is a monocarboxylic acid, a phenylpropanoid and a member of guaiacols. It derives from a propionic acid. It is a conjugate acid of a dihydroferulate.
The molecule [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H](CO)[C@@H](O)[C@]1([H])O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[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](O)[C@H]3O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H]2NC(C)=O)[C@@H]1O)C(O)=O)C(O)=O)[C@H](O)[C@H](O)CO [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H](CO)[C@@H](O)[C@]1([H])O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[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](O)[C@H]3O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@@H]2NC(C)=O)[C@@H]1O)C(O)=O)C(O)=O)[C@H](O)[C@H](O)CO is A branched heptasaccharide derivative consisting of three sialyl residues, two galactose residues, one N-acetylglucosamine and a glucose residue at the reducing end. The oligosaccharide of ganglioside GT1a. It is also related to or classified as alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-beta-D-GalpNAc-(1->4)-[alpha-Neup5Ac-(2->3)]-beta-D-Galp-(1->4)-D-Glcp  . It is also related to or classified as heptasaccharide derivative .
The molecule C(=CC(=O)[O-])C(=C(C(=O)[O-])Cl)Cl is a dichloromuconate(2-) obtained by deprotonation of the carboxy groups of 2,3-dichloromuconic acid; major species at pH 7.3. It is a conjugate base of a 2,3-dichloromuconic acid.
The molecule C1[C@@H]([C@H]([C@H]([C@@H]1O)/C=C/[C@H](CCCCC)O)C/C=C\CCCC(O)=O)O C1[C@@H]([C@H]([C@H]([C@@H]1O)/C=C/[C@H](CCCCC)O)C/C=C\CCCC(O)=O)O is an isoprostane that is prostaglandin F2alpha having inverted stereochemistry at the 8-position. It has the role of bronchoconstrictor agent . It has the role of vasoconstrictor agent . It has the role of biomarker . Its functional parent is prostaglandin F2alpha . It is a conjugate acid of 8-epi-prostaglandin F2alpha(1-) . It is also related to or classified as F2-isoprostane .
The molecule [NH+]1([C@H](C2=C(CC1)C=C(C(=C2)O)OC)CC3=CC=C(C(=C3)OC)OC)C [NH+]1([C@H](C2=C(CC1)C=C(C(=C2)O)OC)CC3=CC=C(C(=C3)OC)OC)C is an ammonium ion derivative resulting from the protonation of the  amino group of (S)-codamine. The major species at pH 7.3. It is a conjugate acid of (S)-codamine . It is also related to or classified as organic cation , ammonium ion derivative .
The molecule O1C(C(O)C(O)C(O)C1OC2=CC=C(C=C2)C=3C(=O)C=4C(OC3)=CC(O)=C(O)C4)CO O1C(C(O)C(O)C(O)C1OC2=CC=C(C=C2)C=3C(=O)C=4C(OC3)=CC(O)=C(O)C4)CO is 6-Hydroxydaidzein 4'-glucoside. It is also related to or classified as acrovestone  . It is also related to or classified as isoflavonoid .
The molecule CN(C)Cc1c2ccccc2c(CN(C)C)c2ccccc12 CN(C)Cc1c2ccccc2c(CN(C)C)c2ccccc12 is DND-192 dye. It has the role of fluorochrome . It is also related to or classified as anthracenes .
The molecule [C@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@@H]2[C@@H]([C@H]([C@H](O[C@@H]2CO)O[C@H]3[C@@H]([C@H]([C@@H](O[C@@H]3C(O)=O)O[C@H]4[C@@H]([C@H]([C@@H](O[C@@H]4CO)OCCN)O)O)O)O)O)O [C@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@@H]2[C@@H]([C@H]([C@H](O[C@@H]2CO)O[C@H]3[C@@H]([C@H]([C@@H](O[C@@H]3C(O)=O)O[C@H]4[C@@H]([C@H]([C@@H](O[C@@H]4CO)OCCN)O)O)O)O)O)O is A beta-D-glucoside that is the 2-aminoethyl glycoside of a tetrasaccharide consisting of alpha-D-glucosyl, alpha-D-galactosyl, beta-D-glucuronosyl and beta-D-glucosyl residues linked sequentially (1->4). It is also related to or classified as beta-D-glucoside  . It is also related to or classified as tetrasaccharide derivative .
The molecule C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4 C[C@@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CC=C3)[C@H](C)CO)C)CN(C)CC4=CC=NC=C4 is N-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-2-phenylacetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=CC=C2C(=C1)C=CC(=N2)C(=O)O is a quinolinemonocarboxylic acid having the carboxy group at the 2-position. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a conjugate acid of a quinaldate.
The molecule C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C4=C(C(=O)NC(=N4)N)N=C3[N+](=O)[O-])O)OP(=O)(O1)O is a 3',5'-cyclic purine nucleotide that is guanosine 3',5'-cyclic monophosphate in which the hydrogen at position 8 on the purine fragment has been replaced by a nitro group. It has a role as a Brassica napus metabolite, a signalling molecule, a biomarker and a human metabolite. It is a 3',5'-cyclic purine nucleotide and a C-nitro compound. It derives from a 3',5'-cyclic GMP. It is a conjugate acid of an 8-nitroguanosine 3',5'-cyclic monophosphate(1-).
The molecule O=C1OC(CC=2C1=C(O)C3=C(O)C(C4=C(O)C5=C(O)C=6C(=O)OC(C)CC6C=C5C=C4OC)=C(OC)C=C3C2)C O=C1OC(CC=2C1=C(O)C3=C(O)C(C4=C(O)C5=C(O)C=6C(=O)OC(C)CC6C=C5C=C4OC)=C(OC)C=C3C2)C is Tf-26Vx. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)CC3CCCCC3 C[C@@H]1CN([C@@H](COC2=C(C=C(C=C2)NC(=O)COC)C(=O)N(C[C@@H]1OC)C)C)CC3CCCCC3 is N-[(4R,7R,8R)-5-(cyclohexylmethyl)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methoxyacetamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H](CO)[C@@H](O)[C@]1([H])O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[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](O)[C@H]3O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@@H]2NC(C)=O)[C@@H]1O)C(O)=O)C(O)=O)[C@H](O)[C@H](O)CO [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H](CO)[C@@H](O)[C@]1([H])O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[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](O)[C@H]3O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@@H]2NC(C)=O)[C@@H]1O)C(O)=O)C(O)=O)[C@H](O)[C@H](O)CO is an amino oligosaccharide that is a branched octasaccharide derivative consisting of four sialyl residues, two galactose residues, one N-acetylglucosamine and a glucose residue at the reducing end. It is also related to or classified as amino oligosaccharide , oligosaccharide derivative .
The molecule C1=CC(=C(C=C1C(=O)O)N)O is a monohydroxybenzoic acid that is 4-hydroxybenzoic acid carrying an additional amino substitutent at position 3. It is an aminobenzoic acid and a monohydroxybenzoic acid. It is a conjugate acid of a 3-amino-4-hydroxybenzoate.
The molecule CCCCC[C@H](O)[C@@H](O)\C=C\[C@@H](O)CCCCCCCC(O)=O CCCCC[C@H](O)[C@@H](O)\C=C\[C@@H](O)CCCCCCCC(O)=O is A trihydroxyoctadecenoic acid with hydroxy groups at positions C-9, -12, and 13, and an E (cis) double bond at position 10. It has the role of adjuvant . It has the role of anti-inflammatory agent . Its functional parent is 13(S)-HPODE . It is also related to or classified as TriHOME .
The molecule O(C(=O)CCCCCCC\C=C\CCCCCCCC)CC O(C(=O)CCCCCCC\C=C\CCCCCCCC)CC is 9-Octadecenoic acid, ethyl ester. It is also related to or classified as fatty acid ester  .
The molecule O([C@H]1[C@@H](O)[C@H](O)[C@H](OC1O)CO[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)CO)[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O)CO O([C@H]1[C@@H](O)[C@H](O)[C@H](OC1O)CO[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@@H]2O)CO)[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O)CO is A mannotriose that is D-mannopyranose in which the hydroxy groups at positions 2 and 6 have each been converted into the corresponding alpha-D-mannopyranoside. Its functional parent is alpha-D-Manp-(1->6)-D-Manp . Its functional parent is alpha-D-Manp-(1->2)-D-Manp . It is also related to or classified as mannotriose .
The molecule C1CN(CCC1O)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C#N is a member of the class of phenothiazines that is 10H-phenothiazine substituted by a 3-(4-hydroxypiperidin-1-yl)propyl group at the nitrogen atom and a carbonitrile group at position 2. Periciazine is a first generation antipsychotic. It has a role as a sedative, an adrenergic antagonist and a first generation antipsychotic. It is a nitrile, a member of phenothiazines and a hydroxypiperidine. It derives from a hydride of a 10H-phenothiazine.
The molecule O1C(C(O)C(O)C1OCC2OC(OC3=C(OC=4C(C3=O)=C(O)C=C(O)C4)C5=CC(OC)=C(O)C=C5)C(O)C(O)C2O)C(O)C O1C(C(O)C(O)C1OCC2OC(OC3=C(OC=4C(C3=O)=C(O)C=C(O)C4)C5=CC(OC)=C(O)C=C5)C(O)C(O)C2O)C(O)C is Isorhamnetin 3-O-[b-L-rhamnofuranosyl-(1->6)-D-glucopyranoside]. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule NC(Cc1ccccc1)C(O)=O NC(Cc1ccccc1)C(O)=O is an aromatic amino acid that is alanine in which one of the methyl hydrogens is substituted by a phenyl group. It has the role of Daphnia magna metabolite . It is a conjugate acid of phenylalaninate . It is also related to or classified as alpha-amino acid  . It is also related to or classified as aromatic amino acid .
The molecule C1CCC(C1)CC#CC2=CC=C(C=C2)[C@@H]3[C@H]4CN(CC(=O)N4[C@H]3CO)C(=O)C5=CN=CC=C5 C1CCC(C1)CC#CC2=CC=C(C=C2)[C@@H]3[C@H]4CN(CC(=O)N4[C@H]3CO)C(=O)C5=CN=CC=C5 is (6S,7R,8R)-7-[4-(3-cyclopentylprop-1-ynyl)phenyl]-8-(hydroxymethyl)-4-[oxo(3-pyridinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule O[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1CO)O[C@@H]2[C@@H]([C@H]([C@H](O[C@@H]2CO)OCCN)O)O)O)O O[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1CO)O[C@@H]2[C@@H]([C@H]([C@H](O[C@@H]2CO)OCCN)O)O)O)O is an alpha-D-galactoside that is the 2-aminoethyl glycoside of a disaccharide consisting of alpha-D-glucosyl and alpha-D-galactosyl residues linked (1->4). It is also related to or classified as alpha-D-galactoside  . It is also related to or classified as disaccharide derivative .
The molecule C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3CCCCC3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4 C[C@H]1CCCCO[C@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3CCCCC3)[C@@H](C)CO)C)CN(C)CC4=CC=NC=C4 is 1-cyclohexyl-3-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(pyridin-4-ylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [Ca+2].OC(C(CO)(C)C)C(=O)NCCC([O-])=O.OC(C(CO)(C)C)C(=O)NCCC([O-])=O [Ca+2].OC(C(CO)(C)C)C(=O)NCCC([O-])=O.OC(C(CO)(C)C)C(=O)NCCC([O-])=O is Calcium DL-pantothenate. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule Cl/C=C/C#CCCCC(NC(=O)C)C(C(=O)OC)CCCCCC(Cl)Cl Cl/C=C/C#CCCCC(NC(=O)C)C(C(=O)OC)CCCCCC(Cl)Cl is Taveuniamide A. Its functional parent is beta-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule C[C@H]1CC2=C(C(=CC(=C2C(=N1)C)OC)OC)C3=C(C4=C(C=CC=C4OC)C=C3C)O is an isoquinoline alkaloid that is (3S)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinoline substituted by a 1-hydroxy-8-methoxy-3-methylnaphthalen-2-yl group at position 5. It is isolated from the leaves of Ancistrocladus tanzaniensis and exhibits antiplasmodial, antileishmanial and antitrypanocidal activities. It has a role as a metabolite, an antiplasmodial drug, a trypanocidal drug and an antileishmanial agent. It is an isoquinoline alkaloid, a member of naphthols, a methoxynaphthalene, an aromatic ether, a member of methylnaphthalenes, a biaryl and a member of isoquinolines.
The molecule S(CCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]1O[C@@H](N2C3=C(C(=NC=N3)N)N=C2)[C@@H]([C@@H]1OP(O)(O)=O)O)(=O)O)(=O)O)(C)C)O)=O)C(CCCCCCCCCCCCCCCCCO[C@H]4[C@@H](C[C@H]([C@@H](O4)C)O)O)=O S(CCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]1O[C@@H](N2C3=C(C(=NC=N3)N)N=C2)[C@@H]([C@@H]1OP(O)(O)=O)O)(=O)O)(=O)O)(C)C)O)=O)C(CCCCCCCCCCCCCCCCCO[C@H]4[C@@H](C[C@H]([C@@H](O4)C)O)O)=O is an acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of oscr#32. Its functional parent is oscr#32 . It is a conjugate acid of oscr#32-CoA(4-) . It is also related to or classified as acyl-CoA  .
The molecule Oc1ccc2c(O[C@H]3c4ccc(O)cc4OC[C@@]23O)c1 Oc1ccc2c(O[C@H]3c4ccc(O)cc4OC[C@@]23O)c1 is A member of the class of pterocarpans carrying three hydroxy substituents at positions 3, 6a and 9. It has the role of antimicrobial agent . It has the role of antibacterial agent . It has the role of plant metabolite . It has the role of phytoestrogen . It is also related to or classified as pterocarpans  .
The molecule C[N+](C)(C)CCOC(=O)/C=C/C1=CC(=C(C(=C1)OC)O)OC is an acylcholine in which the acyl group specified is sinapoyl. It has a role as a photosynthetic electron-transport chain inhibitor, an antioxidant and a plant metabolite. It derives from a trans-sinapic acid.
The molecule NC1=NC(NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(OP(=O)(OP(=O)([O-])[O-])[O-])[O-])[C@@H](O)[C@H]3O)=O NC1=NC(NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(OP(=O)(OP(=O)([O-])[O-])[O-])[O-])[C@@H](O)[C@H]3O)=O is A nucleoside triphosphate(4-) obtained by global deprotonation of the triphosphate OH groups of 2-oxo-ATP; major microspecies at pH 7.3. It is also related to or classified as nucleoside 5'-triphoshate(4-)  .
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)CC3CCCCC3 C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC(C)C)[C@H](C)CO)C)CN(C)CC3CCCCC3 is 1-[(3S,9S,10S)-9-[[cyclohexylmethyl(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]-3-propan-2-ylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC1=C(C(OC2=C1C=CC(=C2)OC(=O)C)(C)C)C3=CC=C(C=C3)OC is a member of the class of chromenes that is 2H-1-benzopyran-7-ol acetate substituted by a methyl groups at positions 2, 2 and 4 and a 4-methoxyphenyl group at position 3 respectively. It is an acetate ester, a member of chromenes and a monomethoxybenzene.
The molecule COC1=CC=CC=C1NC(=O)N2CCCCN3[C@@H](C2)[C@H]([C@@H]3CO)C4=CC=C(C=C4)C5=CC=CC(=C5)C#N COC1=CC=CC=C1NC(=O)N2CCCCN3[C@@H](C2)[C@H]([C@@H]3CO)C4=CC=C(C=C4)C5=CC=CC(=C5)C#N is (8R,9R,10R)-9-[4-(3-cyanophenyl)phenyl]-10-(hydroxymethyl)-N-(2-methoxyphenyl)-1,6-diazabicyclo[6.2.0]decane-6-carboxamide. It is also related to or classified as nitrile  . It is also related to or classified as biphenyls .