anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O1C(C(O)C(O)C(O)C1OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC(O)=C(O)C(O)=C4)COC(=O)/C=C/C5=CC=C(O)C=C5 O1C(C(O)C(O)C(O)C1OC=2C(=[O+]C=3C(C2)=C(O)C=C(O)C3)C4=CC(O)=C(O)C(O)=C4)COC(=O)/C=C/C5=CC=C(O)C=C5 is Delphinidin 3-(6-p-coumaroylgalactoside). It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CCCCCCCCCCCCCCCCCCOCC(CO)O is an alkylglycerol that is glycerol in which one of the primary hydroxy groups has been converted into the corresponding octadecyl ether. It is used in cosmetics as a stabilising ingredient and skin-conditioning agent.
The molecule COC=1C=C(C=CC1O)C2=C(C(=O)C=3C(=CC(=CC3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O COC=1C=C(C=CC1O)C2=C(C(=O)C=3C(=CC(=CC3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O is 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-3-yl hexopyranoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C[C@H]1C(=O)N(C[C@@H]2[C@H](CC[C@@H](O2)CCOC3=C(C=CC=C3C(=O)N1C)C#N)OC)C C[C@H]1C(=O)N(C[C@@H]2[C@H](CC[C@@H](O2)CCOC3=C(C=CC=C3C(=O)N1C)C#N)OC)C is LSM-13428. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule Cl.CCN(CC)CC1=CC2=C(C=C1)C=C(COC(=O)NC1=CC=C(C=C1)C(=O)NO)C=C2 Cl.CCN(CC)CC1=CC2=C(C=C1)C=C(COC(=O)NC1=CC=C(C=C1)C(=O)NO)C=C2 is the hydrochloride salt of givinostat. It has the role of antineoplastic agent . It has the role of angiogenesis inhibitor . It has the role of EC 3.5.1.98 (histone deacetylase) inhibitor . It has the role of anti-inflammatory agent . It has the role of apoptosis inducer . It is also related to or classified as hydrochloride .
The molecule OC(=O)CCC\C=C\CC\C=C\CCCCCCCCCCCCCC OC(=O)CCC\C=C\CC\C=C\CCCCCCCCCCCCCC is 5,9-tetracosadienoic acid. It is also related to or classified as very long-chain fatty acid  .
The molecule [C] [C] is carbon atom. It has the role of macronutrient . It is also related to or classified as nonmetal atom  . It is also related to or classified as carbon group element atom .
The molecule Cl[Rh-3](Cl)(Cl)(Cl)(Cl)Cl is a perchlorometallate anion having six chlorines and rhodium(III) as the metal component. It is a rhodium coordination entity and a perchlorometallate anion.
The molecule OC[C@H]1O[C@@H](OC2=CC3=C(C(=O)C[C@H](O3)C3=CC(O)=C(O)C=C3)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](OC2=CC3=C(C(=O)C[C@H](O3)C3=CC(O)=C(O)C=C3)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O is A flavanone glycoside that is eriodictyol attached to a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage. It is an Nrf2 activator and provides protection against cisplatin-induced toxicity. It has the role of radical scavenger . It has the role of plant metabolite . Its functional parent is eriodictyol . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as trihydroxyflavanone , monosaccharide derivative , flavanone glycoside .
The molecule O([C@@H]1[C@@H](NC(=O)C)[C@H](O[C@@H]([C@H]1O)CO)O)[C@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C O([C@@H]1[C@@H](NC(=O)C)[C@H](O[C@@H]([C@H]1O)CO)O)[C@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C is an amino disaccharide that is 2-acetamido-alpha-D-glucose in which the hydroxy group at position 3 has been glycosylated by a beta-L-fucosyl group. It is also related to or classified as acetamides , amino disaccharide .
The molecule CC1C2CC3=C(C=C(O)C=C3)C1(C)CCN2CC=C CC1C2CC3=C(C=C(O)C=C3)C1(C)CCN2CC=C is an organic heterotricyclic compound that is metazocine in which the methyl group at the N-position is replaced by an allyl group. It has the role of opioid analgesic . It has the role of opioid receptor antagonist . It is also related to or classified as organic heterotricyclic compound , organic hydroxy compound , tertiary amino compound , olefinic compound .
The molecule C[C@H]1[C@@H](CN(C(=O)C2=CC=CC(=C2OC[C@H]3[C@H](CC[C@H](O3)CCN(C1=O)C)OC)C#N)C)OC C[C@H]1[C@@H](CN(C(=O)C2=CC=CC(=C2OC[C@H]3[C@H](CC[C@H](O3)CCN(C1=O)C)OC)C#N)C)OC is LSM-13404. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O(C(=O)CCCCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCCCCC O(C(=O)CCCCCCCCCCCCCCCCC)CCOC(=O)CCCCCCCCCCCCCCCCC is Ethylene glycol distearate. It is also related to or classified as fatty acid ester  .
The molecule COC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])N is a phenylalanine derivative that is methyl phenylalaninate substituted by a nitro group at position 4 on the benzene ring. It is an alpha-amino acid ester and a phenylalanine derivative. It derives from a 4-nitrophenylalanine.
The molecule C=1(C=C2OC(C(C(C2=C(C1)O)=O)O)C=3C=CC(=CC3)O)OC4C(C(C(C(O4)CO)O)O)O C=1(C=C2OC(C(C(C2=C(C1)O)=O)O)C=3C=CC(=CC3)O)OC4C(C(C(C(O4)CO)O)O)O is 3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl hexopyranoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC=CO3 CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC=CO3 is 2-[[2-furanyl(oxo)methyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester. It is also related to or classified as organosulfur heterocyclic compound .
The molecule CCCC(CCC)C(=O)[O-] is a branched-chain saturated fatty acid anion that is the conjugate base of valproic acid. It has a role as an antimanic drug. It derives from a valerate. It is a conjugate base of a valproic acid.
The molecule C1=C(OC)C(=CC(/C=C/C(NCCC2=CC(=C(C=C2)O)O)=O)=C1)OC C1=C(OC)C(=CC(/C=C/C(NCCC2=CC(=C(C=C2)O)O)=O)=C1)OC is (2E)-N-[2-(3,4-dihydroxyphenyl)ethyl]-3-(3,4-dimethoxyphenyl)acrylamide. Its functional parent is dopamine . It is also related to or classified as carboxamide  .
The molecule CC[NH+](CC)CC1=CC2=C(C=C1)C=C(COC(=O)NC1=CC=C(C=C1)C(=O)NO)C=C2 CC[NH+](CC)CC1=CC2=C(C=C1)C=C(COC(=O)NC1=CC=C(C=C1)C(=O)NO)C=C2 is A tertiary ammonium ion that is the conjugate acid of givinostat resulting from the protonation of the tertiary amino group; Major species at pH 7.3. It is a conjugate acid of givinostat . It is also related to or classified as tertiary ammonium ion  .
The molecule C1=CC2=C(C(=C1)OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)[O-])O)C(=O)C=C(O2)C(=O)O is the monocarboxylate anion of cromoglycic acid. It is a conjugate base of a cromoglycic acid. It is a conjugate acid of a cromoglycate(2-).
The molecule [C@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC[C@H]2O[C@@H]([C@H]([C@H]([C@@H]2O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O[C@@H]4[C@@H]([C@@H](O[C@@H]([C@H]4O)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O[C@]8(O[C@]([C@@H]([C@@H](CO)O)O)([H])[C@H](NC(C)=O)[C@@H](O)C8)C(=O)O)O)O)NC(C)=O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@H]%10[C@@H]([C@H]([C@H]([C@H](O%10)CO)O)O)O)O)NC(=O)C)O)O[C@H]%11[C@@H]([C@H]([C@@H](O[C@@H]%11CO)O[C@H]%12[C@@H]([C@H]([C@@H](O[C@@H]%12CO)O)NC(C)=O)O)NC(C)=O)O)O [C@H]1([C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)OC[C@H]2O[C@@H]([C@H]([C@H]([C@@H]2O)O[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O[C@@H]4[C@@H]([C@@H](O[C@@H]([C@H]4O)CO[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O[C@]8(O[C@]([C@@H]([C@@H](CO)O)O)([H])[C@H](NC(C)=O)[C@@H](O)C8)C(=O)O)O)O)NC(C)=O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O[C@H]%10[C@@H]([C@H]([C@H]([C@H](O%10)CO)O)O)O)O)NC(=O)C)O)O[C@H]%11[C@@H]([C@H]([C@@H](O[C@@H]%11CO)O[C@H]%12[C@@H]([C@H]([C@@H](O[C@@H]%12CO)O)NC(C)=O)O)NC(C)=O)O)O is an amino oligosaccharide that is a branched dodecasaccharide derivative comprising N-acetylneuraminic acid, D-galactose, N-acetyl-D-glucosamine and D-mannoseD residues linked as shown. It constitutes the N-glycan moiety in human thyroglobulin. It is also related to or classified as glucosamine oligosaccharide , N-glycan derivative , amino oligosaccharide .
The molecule N[C@H](CC([O-])=O)C([O-])=O N[C@H](CC([O-])=O)C([O-])=O is an aspartate(2-) that is the conjugate base of D-aspartate(1-). It is also related to or classified as aspartate(2-)  .
The molecule O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C(O)=C3C(OC(C4=CC(OC)=C(O[C@@H]5O[C@H]([C@@H](O)C(O)C5O)CO)C=C4)=C(OC)C3=O)=CC2OC)CO O1C([C@@H](O)[C@H](O)C(O)[C@@H]1OC=2C(O)=C3C(OC(C4=CC(OC)=C(O[C@@H]5O[C@H]([C@@H](O)C(O)C5O)CO)C=C4)=C(OC)C3=O)=CC2OC)CO is Chrysosplenol C 6,4'-diglucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C1=CC=C(C=C1)CS(=O)(=O)N2[C@H]([C@@H]([C@H]2C#N)C3=CC=CC=C3)CO C1=CC=C(C=C1)CS(=O)(=O)N2[C@H]([C@@H]([C@H]2C#N)C3=CC=CC=C3)CO is (2S,3R,4R)-4-(hydroxymethyl)-3-phenyl-1-(phenylmethyl)sulfonyl-2-azetidinecarbonitrile. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule C1C[C@H](NC1)C(=O)NCC(=O)O is a dipeptide consisting of glycine having an L-prolyl group attached to its alpha-amino nitrogen. It is a tautomer of a L-prolinylglycine zwitterion.
The molecule C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)OC)C(=O)N(C[C@H]1OC)C)C)C(=O)COC C[C@@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)OC)C(=O)N(C[C@H]1OC)C)C)C(=O)COC is 4-methoxy-N-[(5S,6R,9S)-5-methoxy-8-(2-methoxy-1-oxoethyl)-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]benzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C=1C=NC=C(C1N)CO C=1C=NC=C(C1N)CO is an aminopyridine that is 4-aminopyridine which is substituted by a hydroxymethyl group at position 3. It is a potassium channel blocker which restores axonal conduction after spinal cord injury. It has the role of potassium channel blocker . Its functional parent is 4-aminopyridine . It is also related to or classified as aromatic primary alcohol  . It is also related to or classified as aminopyridine , aromatic amine .
The molecule CC1=C2C=CC=CC2=C(C3=CC=CC=C13)CCC(=O)O is anthracene substituted at C-9 by a propionic acid group and at C-10 by a methyl group. It is a member of anthracenes and a monocarboxylic acid.
The molecule C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)N(C[C@@H]1OC)C)C)CCC(F)(F)F C[C@H]1CN([C@H](COC2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)N(C[C@@H]1OC)C)C)CCC(F)(F)F is N-[(5R,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-8-(3,3,3-trifluoropropyl)-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-1,3-benzodioxole-5-carboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CN1CCCC(=O)N(C[C@@H]2[C@H](CC[C@H](O2)CCOC3=C(C=CC=C3C1=O)C#N)OC)C CN1CCCC(=O)N(C[C@@H]2[C@H](CC[C@H](O2)CCOC3=C(C=CC=C3C1=O)C#N)OC)C is LSM-13435. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O1C(C(C2=C1C=CC3=C2OC(=O)C=C3)C=4C=5N(C6=C(C(=O)C5C(O)=CC4OC)C=CC(OC)=C6OC)C)C(O)(C)C O1C(C(C2=C1C=CC3=C2OC(=O)C=C3)C=4C=5N(C6=C(C(=O)C5C(O)=CC4OC)C=CC(OC)=C6OC)C)C(O)(C)C is Neoacrimarine K. Its functional parent is acridone . It is also related to or classified as acridines .
The molecule CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)C[C@@H](CCCC[C@H](C[C@@H]([C@H](C)N)O)O)O)O)O is a pentol that is (3S,5R,10R,12S,14S,15R,16R)-12,16-dimethylicosane-3,5,10,14,15-pentol in which the pro-S hydrogen at position 2 is substituted by an amino group. It results from hydrolysis of the O-acyl bonds of fumonisin B1. It is a pentol and a primary amino compound. It is a conjugate base of a (2S,3S,5R,10R,12S,14S,15R,16R)-2-amino-12,16-dimethylicosane-3,5,10,14,15-pentol(1+).
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)CC3=CC=CC=C3 C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)N(C)C)[C@H](C)CO)C)CN(C)CC3=CC=CC=C3 is (3S,9S,10S)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC(=O)O is a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine in which the alkyl and the acyl groups at positions 1 and 2 are specified as hexadecyl and glutaryl respectively. It derives from a glutaric acid. It is a conjugate acid of a 1-hexadecyl-2-glutaryl-sn-glycero-3-phosphocholine(1-).
The molecule COC1=CC(\C=C\C(O)=O)=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O COC1=CC(\C=C\C(O)=O)=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O is A methoxyycinnamic acid that is ferulic acid in which the phenolic hydroxy group at position 4 has been converted into its beta-D-glucoside. It has the role of plant metabolite . Its functional parent is trans-ferulic acid . It is a conjugate acid of 4-O-beta-D-glucosyl-trans-ferulate . It is also related to or classified as beta-D-glucoside  . It is also related to or classified as monomethoxybenzene , methoxycinnamic acid , monosaccharide derivative .
The molecule CC(=N)C(C#N)C(=O)CSC1=NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)N1C CC(=N)C(C#N)C(=O)CSC1=NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)N1C is 4-[[5-(4-fluorophenyl)-3-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]-2-(1-iminoethyl)-3-oxobutanenitrile. It is also related to or classified as organic heterobicyclic compound , organonitrogen heterocyclic compound , organosulfur heterocyclic compound .
The molecule Br/C(/CC/C=C\CCCCCCCCCCCCCCC)=C/CCCC(O)=O Br/C(/CC/C=C\CCCCCCCCCCCCCCC)=C/CCCC(O)=O is 6-bromo-pentacosa-5E,9Z-dienoic acid. It is also related to or classified as very long-chain fatty acid  .
The molecule CC1=C(C=C(C=C1)NC(=O)C2CC(=O)N3C4=CC=CC=C4NC3=N2)C CC1=C(C=C(C=C1)NC(=O)C2CC(=O)N3C4=CC=CC=C4NC3=N2)C is N-(3,4-dimethylphenyl)-4-oxo-3,10-dihydro-2H-pyrimido[1,2-a]benzimidazole-2-carboxamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule COc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O COc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O is A monomethoxyflavone that is the 4'-O-methyl derivative of kaempferol. It has the role of metabolite . It has the role of antihypertensive agent . Its functional parent is kaempferol . It is a conjugate acid of kaempferide(1-) . It is also related to or classified as monomethoxyflavone  .  It is also related to or classified as 7-hydroxyflavonol  . It is also related to or classified as trihydroxyflavone .
The molecule CC([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N)N)N)O)O)O is an aminoglycoside antibiotic produced by Micromonospora rhodorangea. It blocks polypeptide synthesis by inhibiting the elongation step in both prokaryotic and eukaryotic cells. It has a role as an antiinfective agent, an antiparasitic agent, an antiprotozoal drug and a coccidiostat.
The molecule Oc1ccccc1C(=O)NNC(=O)c1ccc(cc1)-c1ccccc1 Oc1ccccc1C(=O)NNC(=O)c1ccc(cc1)-c1ccccc1 is N'-(2-hydroxybenzoyl)biphenyl-4-carbohydrazide. Its functional parent is benzohydrazide . It is also related to or classified as carbohydrazide  .
The molecule O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C(OC)C=C3OC(=O)C=CC3=C2)CO O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC2=C(OC)C=C3OC(=O)C=CC3=C2)CO is Magnolioside.  It is also related to or classified as glycoside  . It is also related to or classified as coumarins .
The molecule CC[C@H](C)[C@H](C/C=C\\C[C@H]([C@@H](CC)C(=O)[O-])O)OC is the conjugate base of methoxymycolic acid type-3 (IX). A class of mycolic acids characterized by the presence of a proximal cis C=C double bond and a distal (CH-CH3)-(CHO-CH3) fragment of (S,S) stereochemistry in the meromycolic chain.
The molecule NC(=O)NNC(=O)c1ccccc1O NC(=O)NNC(=O)c1ccccc1O is 2-(2-hydroxybenzoyl)hydrazinecarboxamide. Its functional parent is semicarbazide . Its functional parent is benzohydrazide . It is also related to or classified as carbohydrazide  .
The molecule CC(=O)NNC(=O)c1ccccc1N CC(=O)NNC(=O)c1ccccc1N is N'-acetyl-2-aminobenzohydrazide. Its functional parent is benzohydrazide . It is also related to or classified as carbohydrazide  .
The molecule O=c1[nH]c2nc[nH]c2c(=O)[nH]1 O=c1[nH]c2nc[nH]c2c(=O)[nH]1 is an oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-7 is protonated. It is also related to or classified as xanthine  .
The molecule CCCCCC[C@H](C)[C@@H]1[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O1)C)C)CC(C)C)C(C)C)C is an emericellamide derived from N-[(2R,3R,4S)-3-hydroxy-2,4-dimethyldecanoyl]glycyl-L-valyl-L-leucyl-L-alanyl-L-alanine by the formal intramolecular condensation of the alcoholic hydroxy group with the C-terminal carboxylic acid group.
The molecule O([C@@H]1[C@@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)[C@@H](O[C@@H]([C@@H]1O)CO)O)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O)CO O([C@@H]1[C@@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)CO)[C@@H](O[C@@H]([C@@H]1O)CO)O)[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O)CO is A trisaccharide that is beta-D-galactopyranose in which the hydroxy groups at positions 2 and 3 have been converted into the corresponding beta-D-glucopyranosyl and beta-D-mannopyranosyl derivatives, respectively. Its functional parent is beta-D-Glcp-(1->2)-beta-D-Galp . It is also related to or classified as trisaccharide .
The molecule C1(=C(C=CC(=C1O)O)C=2OC3=C(C(C2O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO[C@@H]5O[C@H]([C@@H]([C@H]([C@H]5O)O)O)C)=O)C(=CC(=C3)O)O)C=6C=7OC(C8=CC(=C(C=C8)O)O)=C(C(C7C(=CC6O)O)=O)O[C@@H]9O[C@@H]([C@H]([C@@H]([C@H]9O)O)O)CO[C@@H]%10O[C@H]([C@@H]([C@H]([C@H]%10O)O)O)C C1(=C(C=CC(=C1O)O)C=2OC3=C(C(C2O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)CO[C@@H]5O[C@H]([C@@H]([C@H]([C@H]5O)O)O)C)=O)C(=CC(=C3)O)O)C=6C=7OC(C8=CC(=C(C=C8)O)O)=C(C(C7C(=CC6O)O)=O)O[C@@H]9O[C@@H]([C@H]([C@@H]([C@H]9O)O)O)CO[C@@H]%10O[C@H]([C@@H]([C@H]([C@H]%10O)O)O)C is 8-[6-(3-{[6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy}-5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2,3-dihydroxyphenyl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule OC(C1C2(C(C3C(CC2)C4(C(=CC3)CC(OC5OC(C(O)C(O)C5O)CO)CC4=O)C)CC1)C)(C6OC(=O)C(=C(C6)C)CO)C OC(C1C2(C(C3C(CC2)C4(C(=CC3)CC(OC5OC(C(O)C(O)C5O)CO)CC4=O)C)CC1)C)(C6OC(=O)C(=C(C6)C)CO)C is (3b,20R,22R)-3,20,27-Trihydroxy-1-oxowitha-5,24-dienolide 3-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as withanolide .
The molecule CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4F)CC(=O)NCC5=CC6=C(C=C5)OCO6 CN1[C@H]2CC[C@H](O[C@H]2COC3=C(C1=O)C=C(C=C3)NC(=O)C4=CC=CC=C4F)CC(=O)NCC5=CC6=C(C=C5)OCO6 is N-[(2S,4aS,12aR)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-8-yl]-2-fluorobenzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)NC(=O)C)O)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O)O is a branched amino hexasaccharide, which is a constituent of human breast milk. It is an amino hexasaccharide and a glucosamine oligosaccharide.
The molecule O[C@H]1[C@@H]([C@@H]([C@H](O[C@@H]1CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O[C@]5(O[C@]([C@@H]([C@@H](CO)O)O)([H])[C@H](NC(CO)=O)[C@@H](O)C5)C(=O)O)O)O)O)NC(C)=O)O[C@@H]6[C@@H]([C@@H](O[C@@H]([C@H]6O)CO[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O[C@H]%10[C@@H]([C@H]([C@@H](O[C@@H]%10CO)O[C@H]%11[C@@H]([C@H]([C@@H](O[C@@H]%11CO)O)NC(C)=O)O)NC(C)=O)O)O)O)O[C@@H]%12[C@H]([C@H]([C@@H]([C@H](O%12)CO)O)O)O[C@H]%13[C@@H]([C@H]([C@@H]([C@H](O%13)CO)O[C@H]%14[C@@H]([C@H]([C@H]([C@H](O%14)CO)O[C@H]%15[C@@H]([C@H]([C@H]([C@H](O%15)CO)O)O)O)O)O)O)NC(C)=O O[C@H]1[C@@H]([C@@H]([C@H](O[C@@H]1CO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O[C@]5(O[C@]([C@@H]([C@@H](CO)O)O)([H])[C@H](NC(CO)=O)[C@@H](O)C5)C(=O)O)O)O)O)NC(C)=O)O[C@@H]6[C@@H]([C@@H](O[C@@H]([C@H]6O)CO[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO[C@@H]8[C@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O[C@H]%10[C@@H]([C@H]([C@@H](O[C@@H]%10CO)O[C@H]%11[C@@H]([C@H]([C@@H](O[C@@H]%11CO)O)NC(C)=O)O)NC(C)=O)O)O)O)O[C@@H]%12[C@H]([C@H]([C@@H]([C@H](O%12)CO)O)O)O[C@H]%13[C@@H]([C@H]([C@@H]([C@H](O%13)CO)O[C@H]%14[C@@H]([C@H]([C@H]([C@H](O%14)CO)O[C@H]%15[C@@H]([C@H]([C@H]([C@H](O%15)CO)O)O)O)O)O)O)NC(C)=O is an amino oligosaccharide that is a branched pentadecasaccharide derivative comprising N-glycoloylneuraminic acid, D-galactose, N-acetyl-D-glucosamine and D-mannoseD residues linked as shown. It constitutes the N-glycan moiety in bovine thyroglobulin. It is also related to or classified as glucosamine oligosaccharide , N-glycan derivative , amino oligosaccharide .
The molecule C1=CC=NC(=C1)C(=O)NN=CC2=CC=C(C=C2)OC(=O)C3=CC=CO3 C1=CC=NC(=C1)C(=O)NN=CC2=CC=C(C=C2)OC(=O)C3=CC=CO3 is 2-furancarboxylic acid [4-[[[oxo(2-pyridinyl)methyl]hydrazinylidene]methyl]phenyl] ester. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule [C@@]1([NH2+]CCC2=C1C=C(OC)C(=C2)OC)(C[C@]3([C@]([C@@H](OC=C3C(OC)=O)O[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O)O)CO)(C=C)[H])[H])[H] [C@@]1([NH2+]CCC2=C1C=C(OC)C(=C2)OC)(C[C@]3([C@]([C@@H](OC=C3C(OC)=O)O[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@H]4O)O)CO)(C=C)[H])[H])[H] is major species at pH 7.3. It is also related to or classified as ammonium ion derivative .
The molecule [NH2+]1C(C2=C(CC1)C=C(C(=C2)OC)O)CC3=CC=C(C=C3)O [NH2+]1C(C2=C(CC1)C=C(C(=C2)OC)O)CC3=CC=C(C=C3)O is major species at pH 7.3. It is also related to or classified as ammonium ion derivative .
The molecule C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(=O)O)SC2=CC=CC=C2.C(C[C@@H](C(=O)O)N)CN=C(N)N is an organoammonium salt obtained by combining zofenoprilat with one molar equivalent of L-arginine. It has a role as an anticonvulsant, an apoptosis inhibitor, a cardioprotective agent, an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor and a vasodilator agent. It contains a L-argininium(1+) and a zofenoprilat(1-).
The molecule O(C1[C@H](OC(=O)/C=C/C2=CC(O)=C(O)C=C2)CC(O)(C[C@H]1OC(=O)/C=C/C3=CC(O)=C(O)C=C3)C(O)=O)C(=O)/C=C/C4=CC(O)=C(O)C=C4 O(C1[C@H](OC(=O)/C=C/C2=CC(O)=C(O)C=C2)CC(O)(C[C@H]1OC(=O)/C=C/C3=CC(O)=C(O)C=C3)C(O)=O)C(=O)/C=C/C4=CC(O)=C(O)C=C4 is (3R,5R)-3,4,5-tris{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1-hydroxycyclohexane-1-carboxylic acid.  It is also related to or classified as alkyl caffeate ester  . It is also related to or classified as quinic acid .
The molecule CC1=CC(=NO1)NC(=O)CCCC(=O)N(CC(=O)NC2CCCCC2)C3=CC=CC=C3 CC1=CC(=NO1)NC(=O)CCCC(=O)N(CC(=O)NC2CCCCC2)C3=CC=CC=C3 is N'-[2-(cyclohexylamino)-2-oxoethyl]-N-(5-methyl-3-isoxazolyl)-N'-phenylpentanediamide. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule [NH3+][C@H](CCOc1ccc(cc1)C(=N\[O-])\C(=O)N[C@H]1CN([C@@H](C([O-])=O)c2ccc(O)cc2)C1=O)C([O-])=O [NH3+][C@H](CCOc1ccc(cc1)C(=N\[O-])\C(=O)N[C@H]1CN([C@@H](C([O-])=O)c2ccc(O)cc2)C1=O)C([O-])=O is A dicarboxylic acid dianion that is the major structure of isonocardicin A at pH 7.3 (according to Marvin v 6.2.0.). It is also related to or classified as dicarboxylic acid dianion  .
The molecule [C@H]1(O[C@H](C([O-])=O)[C@H]([C@@H]([C@H]1O)O)O)O[C@H](\C=C\C2=C(C(CC2)=O)CCCCCCC([O-])=O)CCCCC [C@H]1(O[C@H](C([O-])=O)[C@H]([C@@H]([C@H]1O)O)O)O[C@H](\C=C\C2=C(C(CC2)=O)CCCCCCC([O-])=O)CCCCC is major species at pH 7.3. It is also related to or classified as beta-D-glucoside  . It is also related to or classified as prostaglandin carboxylic acid anion .