anonymous041/ChEBI-Augmented huggingface dataset:
The molecule O[C@@H](CCC(O)=O)C(O)=O O[C@@H](CCC(O)=O)C(O)=O is (S)-2-hydroxyglutaric acid. It is a conjugate acid of (S)-2-hydroxyglutarate(2-) . It is also related to or classified as 2-hydroxyglutaric acid  .
The molecule CC(=O)CC(=O)c1c(O)c2C(=O)c3c(O)cccc3C(=O)c2cc1CC(O)=O CC(=O)CC(=O)c1c(O)c2C(=O)c3c(O)cccc3C(=O)c2cc1CC(O)=O is A dihydroxyanthraquinone that is 1,8-dihydroxy-9,10-anthraquinone which is substituted a position 2 by a 3-oxobutanoyl group and at position 3 by a carboxymethyl group. An intermediate in the biosynthesis of nogalamycin. It has the role of bacterial metabolite . It is a conjugate acid of nogalonate(2-) . It is also related to or classified as polyketide  .   It is also related to or classified as dihydroxyanthraquinone  . It is also related to or classified as polyphenol , oxo monocarboxylic acid .
The molecule N([C@H](C(N[C@H](C(=O)N[C@H](C(N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@@H](C(O)=O)CC(C)C)=O)CCCCNC(=O)C)=O)C(O)C)CCC(O)=O)=O)C(O)C)CCC(O)=O)=O)CO)C([C@@H](N)CC(C)C)=O N([C@H](C(N[C@H](C(=O)N[C@H](C(N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@@H](C(O)=O)CC(C)C)=O)CCCCNC(=O)C)=O)C(O)C)CCC(O)=O)=O)C(O)C)CCC(O)=O)=O)CO)C([C@@H](N)CC(C)C)=O is an eight-membered oligopeptide comprising L-leucine, L-serine, L-glutamic acid, L-threonine, L-glutamic acid, L-threonine, N(6)-acetyl-L-lysine and D-leucine residues coupled in sequence. It is also related to or classified as oligopeptide  .
The molecule C/1CC2=C(\C1=N\O)C=CC(=C2)C=3N=C(NC3C=4C=CN=CC4)C5=CC=C(C=C5)OCCN(C)C C/1CC2=C(\C1=N\O)C=CC(=C2)C=3N=C(NC3C=4C=CN=CC4)C5=CC=C(C=C5)OCCN(C)C is an N-{5-[2-{4-[2-(dimethylamino)ethoxy]phenyl}-4-(pyridin-4-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-inden-1-ylidene}hydroxylamine in which the oxime group has E configuration. It is also related to or classified as N-{5-[2-{4-[2-(dimethylamino)ethoxy]phenyl}-4-(pyridin-4-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-inden-1-ylidene}hydroxylamine  .
The molecule C1=C(C2=C(C=CC=C2)C(=C1CC=C(C)C)O)O C1=C(C2=C(C=CC=C2)C(=C1CC=C(C)C)O)O is 2-prenyl-1,4-dihydronaphthoquinone. Its functional parent is 2-carbonyl-3-prenyl-1,4-dihydronaphthoquinone . It is also related to or classified as hydroxy monocarboxylic acid anion .
The molecule O([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)O)O)O)[C@H]3[C@@H]([C@H]([C@H](O[C@@H]3CO)OCCCCCN)O)O O([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)O)O)O)[C@H]3[C@@H]([C@H]([C@H](O[C@@H]3CO)OCCCCCN)O)O is A trisaccharide derivative consisting of an alpha-D-glucosyl residue glycosidically linked to a 5-aminopentyl group and which carries at O-4 an alpha-L-rhamnosyl-(1->3)-beta-D-glucosyl disaccharide unit. It is also related to or classified as glycoside  . It is also related to or classified as trisaccharide derivative .
The molecule CC1=CC(=C(C=C1)N=NC2=C3C=CC(=CC3=CC(=C2O)S(=O)(=O)[O-])S(=O)(=O)[O-])C is an organosulfonate oxoanion resulting from the removal of a proton from both of the sulfo groups of 4-[(2,4-dimethylphenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid. It is a conjugate base of a 4-[(2,4-dimethylphenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid.
The molecule [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(C)O [H][C@@]1(CC[C@@]2([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)C(C)O is A C21-steroid that is pregnane which contains a double bond between positions 4 and 5 and is substituted by an oxo group at position 3 and a hydroxy group at position 20.  It is also related to or classified as 3-oxo-Delta(4) steroid  . It is also related to or classified as C21-steroid  . It is also related to or classified as 20-hydroxy steroid .
The molecule O=C(O[C@H]1[C@H](OC(=O)C2=C(O)C=CC=C2C)[C@@H](O)[C@H](O)[C@H](C1)NC(=O)C3=CC(O)=CC=C3)N O=C(O[C@H]1[C@H](OC(=O)C2=C(O)C=CC=C2C)[C@@H](O)[C@H](O)[C@H](C1)NC(=O)C3=CC(O)=CC=C3)N is Nabscebetain A. Its functional parent is salicylic acid . It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule O[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O O[C@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O is A D-ribofuranose 5-phosphate with an alpha-configuration at anomeric position. It has the role of human metabolite . It is also related to or classified as D-ribofuranose 5-phosphate  .
The molecule S1C=2N(N=C1C3CCCCC3)C(=NN2)C=4OC=CC4 S1C=2N(N=C1C3CCCCC3)C(=NN2)C=4OC=CC4 is A triazolothiadiazole that is [1,2,4]triazolo[3,4-b][1,3,4]thiadiazole which is substituted at positions 3 and 6 by 2-furyl and cyclohexyl groups, respectively. A cardiomyocyte promoter and an inhibitor of Wnt/beta-catenin dependent transcriptional activity, it induces cardiac cell formation in murine stem cells and zebrafish embryos, expanding cardiac progenitor cells. A biphasic modulator of cardiogenesis, it can act as either a promotor or inhibitor of heart formation, depending on the stage of treatment. It has the role of Wnt signalling inhibitor . It is also related to or classified as triazolothiadiazole , furans .
The molecule CN1C(=O)[C@@]23CC4=C(N2C(=O)[C@@]1(SS3)CO)C=C(C=C4)[N+](=O)[O-] is a pyrazinoindole with a disulfide bridge spanning a dioxo-substituted pyrazine ring. It is an antibiotic isolated from the microbial strains Sphingomonas and Aspergillus fumigatus, and exhibits cytotoxic activity against four human cancer cell lines: HCT-116, A549, AGS, and DU145. It has a role as an antimicrobial agent, an antineoplastic agent and an Aspergillus metabolite. It is an organic disulfide, a pyrazinoindole, a C-nitro compound and an organic heterotetracyclic compound.
The molecule [H][C@@]12[C@H]3C[C@]4([H])N([C@H](O)[C@H]3CC)[C@H]1C[C@@]1([C@@H]2O)c2ccccc2N[C@@]41[H] [H][C@@]12[C@H]3C[C@]4([H])N([C@H](O)[C@H]3CC)[C@H]1C[C@@]1([C@@H]2O)c2ccccc2N[C@@]41[H] is an organonitrogen heterocyclic compound that is ajmaline which is lacking the methyl substituent attached to the nitrogen of the dihydroindole moiety. Its functional parent is ajmaline . It is also related to or classified as secondary alcohol  .      It is also related to or classified as hemiaminal  . It is also related to or classified as bridged compound , organonitrogen heterocyclic compound , indole alkaloid , secondary amino compound , tertiary amino compound .
The molecule [C@H]([C@H](C(=O)[O-])O)(C(=O)[O-])N is a C4-dicarboxylate obtained by deprotonation of both carboxy groups of 3-hydroxy-L-aspartic acid. It derives from a L-aspartate(2-). It is a conjugate base of a (3R)-3-hydroxy-L-aspartic acid.
The molecule CC1(C)CCSc2ccc(cc12)C#Cc1ccc(cn1)C(O)=O CC1(C)CCSc2ccc(cc12)C#Cc1ccc(cn1)C(O)=O is A thiochromane that is acetylene in which the hydrogens are replaced by 5-carboxypyridin-2-yl and 4,4-dimethylthiochroman-6-yl groups. It is the active form of the prodrug tazarotene. It has the role of keratolytic drug . It has the role of teratogenic agent .   It is also related to or classified as retinoid  . It is also related to or classified as monocarboxylic acid , pyridines , thiochromane .
The molecule CSCC=O is an aldehyde that is acetaldehyde in which one of the methyl hydrogens has been replaced by a methylsulfanyl group. It is an aldehyde and a methyl sulfide. It derives from an acetaldehyde.
The molecule OC(=O)c1ccccc1O.[H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)NC)ccc1N2C OC(=O)c1ccccc1O.[H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)NC)ccc1N2C is physostigmine salicylate. It is also related to or classified as azaheterocycle salicylate salt , salicylates .
The molecule [Cl-].Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1 [Cl-].Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1 is thiamine(1+) chloride. It is also related to or classified as vitamin B1 , organic chloride salt .
The molecule O=C(OC)[C@H](OC[C@H]1C(=C)CC[C@@H]2[C@@]1(CCC[C@]2(CO)C)C)[C@@H](C(=O)OC[C@]3([C@H]4[C@@]([C@H](C(=C)CC4)CO[C@@H](C(=O)OC)[C@@H](C(=O)O)CC(=O)OC)(CCC3)C)C)CC(=O)OC O=C(OC)[C@H](OC[C@H]1C(=C)CC[C@@H]2[C@@]1(CCC[C@]2(CO)C)C)[C@@H](C(=O)OC[C@]3([C@H]4[C@@]([C@H](C(=C)CC4)CO[C@@H](C(=O)OC)[C@@H](C(=O)O)CC(=O)OC)(CCC3)C)C)CC(=O)OC is 6′,6′′′-cryptoporic acid G dimethyl ester. Its functional parent is pentacarboxylic acid . It is also related to or classified as organooxygen compound .
The molecule C1(=CC=CC=C1CN2C(N(CCC2)CC=3C(=CC=CC3)N(C)C)C=4C=CN=CC4)N(C)C C1(=CC=CC=C1CN2C(N(CCC2)CC=3C(=CC=CC3)N(C)C)C=4C=CN=CC4)N(C)C is an aminal that is hexahydropyrimidine which is substituted on each nitrogen by a 2-(dimethylamino)benzyl group, and at the aminal carbon by a pyridin-4-yl group. A Hedgehog signaling pathway and Gli protein inhibitor. It has the role of Hedgehog signaling pathway inhibitor . It has the role of glioma-associated oncogene inhibitor . It has the role of antineoplastic agent . It has the role of apoptosis inducer .  It is also related to or classified as aminal  . It is also related to or classified as pyridines , substituted aniline , tertiary amino compound .
The molecule C(=C/C(=O)C(=O)O)\\C=C/[O-] is the conjugate base of 2-hydroxy-6-oxohexa-2,4-dienoic acid; major species at pH 7.3. It is a 6-oxo monocarboxylic acid anion and a hydroxy monocarboxylic acid anion. It is a conjugate base of a 2-hydroxy-6-oxohexa-2,4-dienoic acid.
The molecule C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)[C@@H](C)CO)C)CNC C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)[C@@H](C)CO)C)CNC is 1-(1,3-benzodioxol-5-yl)-3-[(3S,9R,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-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 C[C@H]([C@H]1C(=O)NCC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCNCS(=O)(=O)O)CCNCS(=O)(=O)O)CC(C)C)CC(C)C)CCNCS(=O)(=O)O)NC(=O)[C@H](CCNCS(=O)(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCNCS(=O)(=O)O)NC(=O)CCCCC(C)C)O is colistin B in which each of the primary amino groups is converted into the corresponding aminomethanesulfonic acid, commonly by the action of formaldehyde followed by sodium bisulfite. It is a polymyxin, an amino sulfonic acid and a peptide antibiotic. It derives from a colistin B. It is a conjugate acid of a colistimethate B(5-).
The molecule OC1=CC=C(\C=C\C(=O)NCCCCN(CCCNC(=O)\C=C\C2=CC=C(O)C=C2)C(=O)\C=C\C2=CC=C(O)C=C2)C=C1 OC1=CC=C(\C=C\C(=O)NCCCCN(CCCNC(=O)\C=C\C2=CC=C(O)C=C2)C(=O)\C=C\C2=CC=C(O)C=C2)C=C1 is A N(1),N(5),N(10)-tri-p-coumaroyl spermidine in which the three double bonds adopt trans-configuration. It has the role of plant metabolite . Its functional parent is trans-4-coumaric acid . It is also related to or classified as N(1),N(5),N(10)-tri-p-coumaroyl spermidine  .
The molecule [H][C@@]12C[C@@H](O)[C@@H](O)C[C@]1(C)C1=C(CC2=O)C2=CC[C@]([H])([C@@](C)(O)[C@H](O)CCC(C)(C)O)[C@@]2(C)CC1 [H][C@@]12C[C@@H](O)[C@@H](O)C[C@]1(C)C1=C(CC2=O)C2=CC[C@]([H])([C@@](C)(O)[C@H](O)CCC(C)(C)O)[C@@]2(C)CC1 is A phytoecdysteroid that consists of 5beta-cholesta-8,14-dien-6-one bearing five hydroxy substituents at positions 2, 3, 20, 22 and 25.  It is also related to or classified as 3beta-hydroxy steroid  . It is also related to or classified as phytoecdysteroid , 26-hydroxy steroid , 20-hydroxy steroid , 2beta-hydroxy steroid , 22-hydroxy steroid , 6-oxo steroid .
The molecule OC1=CC=C(C=C1)/C=C/C=C/C([O-])=O OC1=CC=C(C=C1)/C=C/C=C/C([O-])=O is major microspecies at pH 7.3. It is also related to or classified as carboxylic acid anion  .
The molecule C1[C@@]2([C@]3(CC([C@]4([C@]([C@@]3([C@H](C[C@@]2(C[C@@H](C1)O)[H])O)[H])(CC[C@]4([H])[C@@H](CCC([O-])=O)C)[H])C)=O)[H])C C1[C@@]2([C@]3(CC([C@]4([C@]([C@@]3([C@H](C[C@@]2(C[C@@H](C1)O)[H])O)[H])(CC[C@]4([H])[C@@H](CCC([O-])=O)C)[H])C)=O)[H])C is A cholanic acid anion that is the conjugate base of 3alpha,7beta-dihydroxy-12-oxo-5beta-cholan-24-oic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as cholanic acid anion .
The molecule C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O is d-Galactopyranose having alpha-configuration at the anomeric centre. It has a role as a mouse metabolite. It is an enantiomer of an alpha-L-galactose.
The molecule C1=CN=CC=C1SSC2=CC=NC=C2 is an organic disulfide obtained by formal oxidative dimerisation of 4-thiopyridine. It is an organic disulfide and a member of pyridines.
The molecule O=C(OCC(CC1=CCOC2C1CCC=3C2CC(C(C)C)CC3)C)C4=CC=CC=C4 O=C(OCC(CC1=CCOC2C1CCC=3C2CC(C(C)C)CC3)C)C4=CC=CC=C4 is 3-(octahydro-9-isopropyl-2H-benzo [h] chromen-4-yl)-2-methylpropyl benzoate. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)CCC(F)(F)F)[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)NC(=O)CCC(F)(F)F)[C@@H](C)CO)C)CN(C)C is N-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-4,4,4-trifluorobutanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O(C=1C(CCNCC=2C(O)=CC=CC2)=CC(OC)=C(C1)C#N)C.Cl O(C=1C(CCNCC=2C(O)=CC=CC2)=CC(OC)=C(C1)C#N)C.Cl is A hydrochloride resulting from the reaction of equimolar amounts of 4-{2-[(2-hydroxybenzyl)amino]ethyl}-2,5-dimethoxybenzonitrile and hydrogen chloride. It has the role of 5-hydroxytryptamine 2A receptor agonist . It is also related to or classified as hydrochloride .
The molecule CCC[N+](CCC)(CCC)CCC.[Br-] is a quarternary ammonium bromide salt in which the cation has four propyl substituents around the central nitrogen. It has a role as a potassium channel blocker. It is a bromide salt and a quaternary ammonium salt. It contains a tetrapropylammonium.
The molecule [H][C@@]1(O[C@@](C[C@@H](O)[C@H]1O)(O[C@@H]1C[C@@](OC[C@H]2O[C@@H](OC[C@H]3O[C@H](OP(O)(O)=O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]3O)[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2OP(O)(O)=O)(O[C@]([H])([C@H](O)CO)[C@@H]1O)C(O)=O)C(O)=O)[C@H](O)CO [H][C@@]1(O[C@@](C[C@@H](O)[C@H]1O)(O[C@@H]1C[C@@](OC[C@H]2O[C@@H](OC[C@H]3O[C@H](OP(O)(O)=O)[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]3O)[C@H](NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H]2OP(O)(O)=O)(O[C@]([H])([C@H](O)CO)[C@@H]1O)C(O)=O)C(O)=O)[C@H](O)CO is A lipid A comprising lipid IVA glycosylated with two 3-deoxy-D-manno-octulosonic acid (KDO) residues and carrying an additional dodecanoyl group. It has the role of Escherichia coli metabolite . It is a conjugate acid of (KDO)2-(lauroyl)-lipid IVA(6-) . It is also related to or classified as lipid As .
The molecule [H][C@@]12[NH+]3CC[C@]11C(Nc4ccccc14)=C(C[C@]2(CC)C=CC3)C(=O)OC [H][C@@]12[NH+]3CC[C@]11C(Nc4ccccc14)=C(C[C@]2(CC)C=CC3)C(=O)OC is conjugate acid of tabersonine arising from protonation of the tertiary amino group; major species at pH 7.3. It is a conjugate acid of tabersonine . It is also related to or classified as indole alkaloid cation .
The molecule C1[C@@H]([C@H](O[C@H]1N2C=NC3=C(NC(=O)N=C32)N)COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O is a 2'-deoxyribonucleoside triphosphate oxoanion that is the tetraanion of 2'-deoxy-2-hydroxyadenosine 5'-triphosphate, arising from deprotonation of the triphosphate OH groups. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a conjugate base of a 2-hydroxy-dATP(3-).
The molecule C(OC(CCCCCCCCCCCCCC)=O)(C[N+](C)(C)C)CC(=O)[O-] C(OC(CCCCCCCCCCCCCC)=O)(C[N+](C)(C)C)CC(=O)[O-] is an O-acylcarnitine in which the acyl group is specified as pentadecanoyl. It has the role of rat metabolite . Its functional parent is pentadecanoic acid . It is also related to or classified as O-acylcarnitine .
The molecule C[C@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)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)NS(=O)(=O)C)[C@H](C)CO)C)CN(C)CC3=CC=CC=C3 is N-[(3S,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl-(phenylmethyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]methanesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C(NC(N)=[NH2+])CCC[NH2+]CC[C@H]([NH3+])C([O-])=O C(NC(N)=[NH2+])CCC[NH2+]CC[C@H]([NH3+])C([O-])=O is major species at pH 7.3. It is also related to or classified as guanidinium ion  .
The molecule O=C1C(=O)CCC(=O)[C@@]23C(=O)N[C@@H]4[C@@H]2[C@@](C=5NC=6C=CC=CC6C5C4)(C)C(=C[C@@H]3C=CC[C@@H](C=C1C)C)C O=C1C(=O)CCC(=O)[C@@]23C(=O)N[C@@H]4[C@@H]2[C@@](C=5NC=6C=CC=CC6C5C4)(C)C(=C[C@@H]3C=CC[C@@H](C=C1C)C)C is Penochalasin K. It is also related to or classified as organonitrogen heterocyclic compound , organic heterotetracyclic compound .
The molecule C1[C@@]2([C@]3(CC([C@]4([C@]([C@@]3([C@H](C[C@@]2(CC(C1)=O)[H])O)[H])(CC[C@]4([H])[C@@H](CCC([O-])=O)C)[H])C)=O)[H])C C1[C@@]2([C@]3(CC([C@]4([C@]([C@@]3([C@H](C[C@@]2(CC(C1)=O)[H])O)[H])(CC[C@]4([H])[C@@H](CCC([O-])=O)C)[H])C)=O)[H])C is A cholanic acid anion that is the conjugate base of 7beta-hydroxy-3,12-dioxo-5beta-cholan-24-oic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as cholanic acid anion .
The molecule C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=CC=CC=C2 is a member of the class of benzamides that is 3-phenylpropanoic acid in which one of the hydrogens at position 2 has been replaced by a benzoylamino group. It is a N-acyl-amino acid and a member of benzamides.
The molecule O(C([H])([H])[H])C([H])([H])[H] O(C([H])([H])[H])C([H])([H])[H] is dimethyl ether-d6. It has the role of NMR solvent . It is also related to or classified as ether  . It is also related to or classified as deuterated compound .
The molecule O1C(CCN2CCN(CC2)C3=CC=C(OC)C=C3)C4=C(CC1)C=C(C=C4)C(=O)NC O1C(CCN2CCN(CC2)C3=CC=C(OC)C=C3)C4=C(CC1)C=C(C=C4)C(=O)NC is 1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-N-methyl-3,4-dihydro-1H-isochromene-6-carboxamide. It has the role of receptor modulator . It is also related to or classified as organonitrogen heterocyclic compound , organic molecular entity .
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)C(=O)C3=CC=CC=C3 C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NS(=O)(=O)C)[C@@H](C)CO)C)CN(C)C(=O)C3=CC=CC=C3 is N-[[(3S,9S,10S)-12-[(2S)-1-hydroxypropan-2-yl]-16-(methanesulfonamido)-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-9-yl]methyl]-N-methylbenzamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule [30Si] is the stable isotope of silicon with relative atomic mass 29.9737702. The least abundant (3.09 atom percent) isotope of naturally occurring silicon.
The molecule CNC is a secondary aliphatic amine where both N-substituents are methyl. It has a role as a metabolite. It is a secondary aliphatic amine and a member of methylamines. It is a conjugate base of a dimethylaminium.
The molecule [Se-][C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C [Se-][C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)NC(=O)C is major microspecies at pH 7.3. It is also related to or classified as organoselenium compound .
The molecule C[C@@H]1O[C@H](CC[C@@H]1O)O[C@@H]1C[C@@H](O[C@H](C)[C@H]1O)c1ccc2C(=O)C3=C(C=C[C@]4(O)C[C@@](C)(O)CC(=O)[C@]34O[C@H]3CC[C@H](O)[C@H](C)O3)C(=O)c2c1O C[C@@H]1O[C@H](CC[C@@H]1O)O[C@@H]1C[C@@H](O[C@H](C)[C@H]1O)c1ccc2C(=O)C3=C(C=C[C@]4(O)C[C@@](C)(O)CC(=O)[C@]34O[C@H]3CC[C@H](O)[C@H](C)O3)C(=O)c2c1O is Urdamycin G.  It is also related to or classified as glycoside  . It is also related to or classified as anthraquinone .
The molecule C1[C@@]2([C@]3(CC([C@]4([C@]([C@@]3(C(C[C@@]2(CC(C1)=O)[H])=O)[H])(CC[C@]4([H])[C@@H](CCC([O-])=O)C)[H])C)=O)[H])C C1[C@@]2([C@]3(CC([C@]4([C@]([C@@]3(C(C[C@@]2(CC(C1)=O)[H])=O)[H])(CC[C@]4([H])[C@@H](CCC([O-])=O)C)[H])C)=O)[H])C is A cholanic acid anion that is the conjugate base of 3,7,12-trioxo-5beta-cholanic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is also related to or classified as cholanic acid anion .
The molecule C(N[C@@H](P(=O)(OCC)OCC)C)(N(N=O)CCCl)=O C(N[C@@H](P(=O)(OCC)OCC)C)(N(N=O)CCCl)=O is A diethyl (1-{[(2-chloroethyl)(nitroso)carbamoyl]amino}ethyl)phosphonate that has S configuration. It is also related to or classified as diethyl (1-{[(2-chloroethyl)(nitroso)carbamoyl]amino}ethyl)phosphonate  .
The molecule C(=O)(C)N[C@H](C(=O)N1[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@@H](C(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)N3[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)C)CC(C)C)CC(C)C)CCC(O)=O)CCCNC(=N)N)=O)CC=4C=CC(O)=CC4)CCCCN)CCC3)CCC2)[C@@H](C)CC)[C@H](O)C)=O)CCC(O)=O)CCCNC(=N)N)CCCCN)CC(C)C)CCC(=O)O)CCC(O)=O)[C@@H](C)CC)CC=5C=CC(=CC5)O)[C@H](O)C)CO)CO)CCSC)CCC1)CC(=O)O C(=O)(C)N[C@H](C(=O)N1[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@@H](C(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)N3[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)C)CC(C)C)CC(C)C)CCC(O)=O)CCCNC(=N)N)=O)CC=4C=CC(O)=CC4)CCCCN)CCC3)CCC2)[C@@H](C)CC)[C@H](O)C)=O)CCC(O)=O)CCCNC(=N)N)CCCCN)CC(C)C)CCC(=O)O)CCC(O)=O)[C@@H](C)CC)CC=5C=CC(=CC5)O)[C@H](O)C)CO)CO)CCSC)CCC1)CC(=O)O is A 27-membered polypeptide comprising the sequence Ac-Asp-Pro-Met-Ser-Ser-Thr-Tyr-Ile-Glu-Glu-Leu-Gly-Lys-Arg-Glu-Val-Thr-Ile-Pro-Pro-Lys-Tyr-Arg-Glu-Leu-Leu-Ala-NH2. An acetylated synthetic peptide from human calpastatin that strongly inhibits both calpains I and II but not papain (a cysteine protease) or trypsin (a serine protease). It has the role of EC 3.4.22.52 (calpain-1) inhibitor . It has the role of EC 3.4.22.53 (calpain-2) inhibitor . It is also related to or classified as polypeptide  .
The molecule CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)O[C@@H](CCCCO1)C)[C@H](C)CO)C CCCN(C)C[C@@H]1[C@@H](CN(C(=O)C2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)O[C@@H](CCCCO1)C)[C@H](C)CO)C is N-[(3R,9S,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)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 C/C=C/C(=O)C is a methyl propenyl ketone in which the double bond has (E)-configuration. It is a key odorant responsible for the chestnut-like aroma in green tea. It has a role as a flavouring agent and a plant metabolite. It is a methyl propenyl ketone and a volatile organic compound.
The molecule [Br-].CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc12 [Br-].CC[n+]1c(-c2ccccc2)c2cc(N)ccc2c2ccc(N)cc12 is the organic bromide salt of ethidium. It has the role of geroprotector . It has the role of intercalator . It has the role of trypanocidal drug . It is also related to or classified as organic bromide salt .
The molecule [H][C@]1(CC)CC[C@@]2([H])[C@]3([H])CC[C@]4([H])CCCC[C@]4(C)[C@@]3([H])CC[C@]12C [H][C@]1(CC)CC[C@@]2([H])[C@]3([H])CC[C@]4([H])CCCC[C@]4(C)[C@@]3([H])CC[C@]12C is 5beta-pregnane. It is also related to or classified as C21-steroid  . It is also related to or classified as pregnane  .
The molecule O(C(=O)C/C=C\CCCCC)C O(C(=O)C/C=C\CCCCC)C is Methyl (xi)-3-nonenoate. It is also related to or classified as fatty acid methyl ester  .
The molecule O(C=1C=C(CCN(CCC)CCC)C=CC1OC)CCC2=CC=CC=C2.[H]Cl O(C=1C=C(CCN(CCC)CCC)C=CC1OC)CCC2=CC=CC=C2.[H]Cl is an aromatic ether that is (2-phenoxyethyl)benzene which carries a 2-(dipropylamino)ethyl group at position 3 and a methoxy group at position 6. It is a potent and selective sigma1 receptor antagonist. It has the role of antipsychotic agent . It has the role of receptor modulator . It is also related to or classified as hydrochloride , tertiary amino compound , methoxybenzenes , aromatic ether .