anonymous041/ChEBI-Augmented huggingface dataset:
The molecule [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)[C@@H]2O)[C@H](NC(C)=O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](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@H]2O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)[C@@H]2O)[C@H](NC(C)=O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](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@H]2O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO is A branched amino nonasaccharide consisting of a linear sequence of N-acetyl-alpha-neuraminyl, beta-D-galactosyl, N-acetyl-beta-D-glucosaminyl, beta-D-galactosyl and D-glucose residues linked sequentially (2->3), (1->3), (1->3) and (1->4), to the N-acetyl-beta-D-glucosaminyl residue is also linked (2->6) an N-acetyl-alpha-neuraminyl residue, while the galactosyl residue proximal to the reducing end has also linked (1->3) to it an alpha-L-fucosyl (1->3)-[beta-D-galactosyl-(1->4)]-N-acetyl-beta-D-glucosaminyl trisaccharide unit. It is also related to or classified as glucosamine oligosaccharide , neuraminic acids , amino nonasaccharide .
The molecule CC=CC1=CC=C(C=C1)[C@H]2[C@H](N([C@H]2CO)C(=O)C3CC3)CNC(=O)NC(C)C CC=CC1=CC=C(C=C1)[C@H]2[C@H](N([C@H]2CO)C(=O)C3CC3)CNC(=O)NC(C)C is LSM-42281. It is also related to or classified as benzenes , ring assembly , azetidines .
The molecule [Cl-].CCCCCCCCCCn1cc[n+](C)c1 [Cl-].CCCCCCCCCCn1cc[n+](C)c1 is an organic chloride salt in which the cationic component is 1-decyl-3-methylimidazolium. It is also related to or classified as organic chloride salt .
The molecule [H][C@]1(O[C@@H](OC(C)=O)[C@H](O)[C@H](O)[C@H]1O)[C@@]1([H])c2cccc(O)c2C(=O)c2c(O)cc(C)cc12 [H][C@]1(O[C@@H](OC(C)=O)[C@H](O)[C@H](O)[C@H]1O)[C@@]1([H])c2cccc(O)c2C(=O)c2c(O)cc(C)cc12 is A C-glycosyl compound that is 1,8-dihydroxy-3-methylanthracen-9(10H)-one substituted by a (1-O-acetyl)-alpha-L-lyxopyranosyl moiety at position 10 via a C-glycosidic linkage (the 10S stereoisomer). It is isolated from the leaves of Alvaradoa haitiensis and exhibits cytotoxicity against human oral epidermoid carcinoma. It has the role of metabolite . It has the role of antineoplastic agent .    It is also related to or classified as acetate ester  . It is also related to or classified as C-glycosyl compound , polyphenol , anthracenes .
The molecule CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1O)C(=O)C4=C(C3=O)C(=CC=C4)O)[O-])O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)[NH+](C)C)O is a zwitterion obtained by transfer of a proton from the 5-hydroxy to the tertiary amino group of 11-deoxy-beta-rhodomycin; major species at pH 7.3. It is a tautomer of an 11-deoxy-beta-rhodomycin.
The molecule C=CCC1=CC=C(C=C1)OS(=O)(=O)[O-] is a phenyl sulfate oxoanion that is the conjugate base of chavicol hydrogen sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3. It is a conjugate base of a chavicol hydrogen sulfate.
The molecule C[C@@H](O)C([O-])=O C[C@@H](O)C([O-])=O is an optically active form of lactate having (R)-configuration. It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as lactate  .
The molecule CC(C)[C@@H]1COCC2=CN(CC[C@@H](C(=O)N1)CC3=CC=C(C=C3)OC)N=N2 CC(C)[C@@H]1COCC2=CN(CC[C@@H](C(=O)N1)CC3=CC=C(C=C3)OC)N=N2 is (4S,7R)-4-[(4-methoxyphenyl)methyl]-7-propan-2-yl-9-oxa-1,6,12,13-tetrazabicyclo[9.2.1]tetradeca-11(14),12-dien-5-one. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[C@@](O)(CCO)CC([O-])=O C[C@@](O)(CCO)CC([O-])=O is the (R)-enantiomer of mevalonate. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as 3,5-dihydroxy-3-methylpentanoate  .
The molecule CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCC(C)C CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)\C=C\CCCCCCCCCC(C)C is an N-acyl-1-O-beta-D-glucosyl-15-methylhexadecasphing-4-enine in which the acyl group has 16 carbons and 0 double bonds. Its functional parent is 15-methylhexadecasphing-4-enine . It is also related to or classified as N-acyl-1-O-beta-D-glucosyl-15-methylhexadecasphing-4-enine  .
The molecule CCCCCCCCCCn1cc[n+](C)c1 CCCCCCCCCCn1cc[n+](C)c1 is A 1-alkyl-3-methylimidazolium in which the alkyl substituent at C-1 is decyl. It is also related to or classified as 1-alkyl-3-methylimidazolium  .
The molecule COc1cc(O)c2C(=O)C3=C([C@@H](O)[C@](C)(O)[C@H](O)[C@H]3O)C(=O)c2c1-c1c(OC)cc2C(=O)c3cc(C)c(O)cc3C(=O)c2c1O COc1cc(O)c2C(=O)C3=C([C@@H](O)[C@](C)(O)[C@H](O)[C@H]3O)C(=O)c2c1-c1c(OC)cc2C(=O)c3cc(C)c(O)cc3C(=O)c2c1O is Alterporriol G and H (Atropisomers). It has the role of metabolite . It is also related to or classified as dihydroxyanthraquinone  .
The molecule C[C@@H]([C@@H](/C=C/C=C/C1=C(C(=CC=C1)O)CO)O)O is a hydroxybenzyl alcohol that is pyriculariol in which the aldehyde goup has been reduced to the corresponding alcohol. It has a role as a fungal metabolite. It is a heptaketide, an aromatic primary alcohol, a hydroxybenzyl alcohol, a secondary allylic alcohol and a homoallylic alcohol.
The molecule CC(C)CCCCCCCCCCCCCCCCCO is a long-chain primary fatty alcohol that is nonadecan-1-ol substituted by a methyl group at position 18. It derives from a hydride of a nonadecane.
The molecule O([C@@H]1[C@@H](NC(=O)C)[C@@H](O[C@@H]([C@H]1O)CO)O)[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C O([C@@H]1[C@@H](NC(=O)C)[C@@H](O[C@@H]([C@H]1O)CO)O)[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C is an amino trisaccharide consisting of alpha-L-fucopyranose, alpha-L-arabinopyranose and 2-acetamido-2-deoxy-beta-D-glucopyranose residues joined in sequence by (1->2) and (1->3) glycosidic bonds. It is also related to or classified as acetamides , amino trisaccharide .
The molecule CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(\C=N\N1CCN(CC1)C1CCCC1)c(O)c4c3C2=O CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(\C=N\N1CCN(CC1)C1CCCC1)c(O)c4c3C2=O is rifapentine. It has the role of antitubercular agent . It has the role of leprostatic drug . It is also related to or classified as rifamycins , N-alkylpiperazine , N-iminopiperazine .
The molecule O=C1C2=C(C=C[N+](=C2)[C@H](C(=O)O)[C@H](CC)C)C(O)(C)C3C1=CC(C)(C)C3 O=C1C2=C(C=C[N+](=C2)[C@H](C(=O)O)[C@H](CC)C)C(O)(C)C3C1=CC(C)(C)C3 is Stereumamide B. Its functional parent is alpha-amino acid . It is also related to or classified as organonitrogen compound , organooxygen compound .
The molecule O[C@](CC(=O)NCCC(N1C(=O)CCC1(O)C([O-])=O)C([O-])=O)(CC(=O)OCCN1C(=O)CCC1(O)C([O-])=O)C([O-])=O O[C@](CC(=O)NCCC(N1C(=O)CCC1(O)C([O-])=O)C([O-])=O)(CC(=O)OCCN1C(=O)CCC1(O)C([O-])=O)C([O-])=O is A citrate siderophore possessing four carboxylate groups suitable for iron coordination. It has the role of siderophore . It is also related to or classified as tetracarboxylic acid anion .
The molecule C[C@H]1CNCCCN1S(=O)(=O)C2=CC=CC3=C2C(=CN=C3)C.Cl.Cl is a hydrochloride salt resulting from the reaction of (S)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane with 2 mol eq. of hydrogen chloride. An ATP-competitive inhibitor of Rho kinase (ROCK). It has a role as an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor. It contains a (S)-2-methyl-1-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepane(2+).
The molecule C(CCCS)CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO[C@@H]3[C@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)COP(=O)(O)OCCN)O)O)O[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)N is a linear pentasaccharide derivative consisting of an alpha-D-mannose residue, a 6-O-[(2-aminoethoxy)(hydroxy)phosphoryl-alpha-D-mannose residue, two further alpha-D-mannose residues and one beta-D-glucosamine residue, linked sequentially (1->2), (1->2), (1->6) and (1->4), with the glucosamine residue linked glycosidically to a 6-sulfanylhexyl group. It is a glycoside and a pentasaccharide derivative.
The molecule [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(=O)\C=C\c1ccccc1)c1c(OC)cc(C)c2c1oc(C[C@@H](C)O)cc2=O [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(=O)\C=C\c1ccccc1)c1c(OC)cc(C)c2c1oc(C[C@@H](C)O)cc2=O is A C-glycosyl compound consisting of 2-[(2R)-2-hydroxypropyl]-7-methoxy-5-methyl-4H-chromen-4-one substituted by a beta-D-[2-O-(E)-cinnamoyl]glucopyranosyl residue at position 8 via a C-glycosidic linkage. It is isolated from the leaves of Aloe barbadensis and exhibits anti-inflammatory activity. It has the role of metabolite . It has the role of anti-inflammatory agent .   It is also related to or classified as secondary alcohol  . It is also related to or classified as C-glycosyl compound , chromones , cinnamate ester .
The molecule O[C@H](Cc1ccc(O)cc1)C(O)=O O[C@H](Cc1ccc(O)cc1)C(O)=O is (R)-3-(4-hydroxyphenyl)lactic acid. It is a conjugate acid of (R)-3-(4-hydroxyphenyl)lactate . It is also related to or classified as 3-(4-hydroxyphenyl)lactic acid  .
The molecule C(N)(=O)[C@H](O)C1=CC=CC=C1 C(N)(=O)[C@H](O)C1=CC=CC=C1 is A mandelamide in which the stereocentre at position 2 has R-configuration. It is also related to or classified as mandelamide  .
The molecule CN1CC[C@@H]2CC[C@@H]([C@@H](O2)COC3=C(C=CC=C3C(=O)N(CCCC1=O)C)C#N)OC CN1CC[C@@H]2CC[C@@H]([C@@H](O2)COC3=C(C=CC=C3C(=O)N(CCCC1=O)C)C#N)OC is LSM-42290. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
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)CNC 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)CNC is 1-[(3S,9R,10S)-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]-3-propan-2-ylurea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule NCCCC[C@@H](NC(=O)c1cccc(O)c1O)C(=O)N[C@@H](CO)C(O)=O NCCCC[C@@H](NC(=O)c1cccc(O)c1O)C(=O)N[C@@H](CO)C(O)=O is A catechol-type siderophore with a structure of D-lysyl-L-serine substituted on N(2) of the lysyl residue by a 2,3-dihydroxybenzoyl group. It is produced by the Gram-negative bacillus Dickeya dadantii (previously known as Erwinia chrysanthem). Only the catecholate hydroxyl groups participate in metal coordination, so chrysobactin cannot provide full 1:1 coordination of Fe(III); at neutral pH and concentrations of about 0.1 mM, ferric chrysobactin exists as a mixture of bis and tris complexes. It has the role of siderophore . It has the role of bacterial metabolite . It is also related to or classified as primary alcohol  .  It is also related to or classified as catechols  . It is also related to or classified as dipeptide  . It is also related to or classified as monocarboxylic acid , primary amino compound .
The molecule CC(C)=CCc1c(O)cc2oc3C=C(O)C(=O)C(CC=C(C)C)(CC=C(C)C)c3c(=O)c2c1O CC(C)=CCc1c(O)cc2oc3C=C(O)C(=O)C(CC=C(C)C)(CC=C(C)C)c3c(=O)c2c1O is A member of the class of xanthones that is 3,6,8-trihydroxy-1H-xanthene-2,9-dione substituted by geminal prenyl groups at position 1 and a single prenyl group at position 7. It is isolated from the stem barks of Allanblackia monticola and exhibits antiplasmodial activity. It also shows weak cytotoxicity against human melanoma cells. It has the role of metabolite . It has the role of antineoplastic agent . It has the role of antiplasmodial drug . It is also related to or classified as polyphenol , xanthones .
The molecule C(=O)[C@@H](C(=O)[O-])N is an L-amino acid anion, being the conjugate base of L-3-oxoalanine. It has a role as a Saccharomyces cerevisiae metabolite. It is a 3-oxo monocarboxylic acid anion and a L-alpha-amino acid anion. It is a conjugate base of a L-3-oxoalanine.
The molecule CC(=CCC/C(=C/CC/C(=C/CC/C(=C/COC[C@@H](COP(=O)([O-])OCC[NH3+])OC/C=C(\\C)/CC/C=C(\\C)/CC/C=C(\\C)/CCC=C(C)C)/C)/C)/C)C is a zwitterion obtained by transfer of a proton from the phosphate to the amino group of a glycerophosphoethanolamine. Positions 1 and 2 of sn-glycero-3-phospho-ethanolamine are substituted by geranylgeranyl groups. It is a tautomer of a 2,3-bis-O-(geranylgeranyl)-sn-glycero-3-phosphoethanolamine.
The molecule C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@H](O[C@@H]5[C@H](O)[C@@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](O)C(O)O[C@@H]6CO)O[C@@H]5CO)[C@@H]4O)[C@@H]3NC(C)=O)O[C@H](CO)[C@H](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](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@H](O[C@@H]5[C@H](O)[C@@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](O)C(O)O[C@@H]6CO)O[C@@H]5CO)[C@@H]4O)[C@@H]3NC(C)=O)O[C@H](CO)[C@H](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 amino heptasaccharide consisting of a hexasaccharide backbone comprising alpha-D-galactosyl, beta-D-galactosyl, N-acetyl-beta-D-galactosaminyl,alpha-D-galactosyl, beta-D-galactosyl and (at the reducing end) D-glucose residues linked sequentially (1->3), (1->3), (1->3), (1->4) and (1->4), to the D-galactosyl residue proximal to the non-reducing end is also linked (1->2) an alpha-L-fucosyl residue. It is also related to or classified as galactosamine oligosaccharide , amino heptasaccharide , carbohydrates and carbohydrate derivatives .
The molecule CCCC(=O)OCC\C=C/C=C CCCC(=O)OCC\C=C/C=C is (Z)-3,5-Hexadienyl butyrate. It is also related to or classified as butyrate ester  . It is also related to or classified as fatty acid ester  .
The molecule O=C1NC(=O)\C(S1)=C\C1=CC2=C(C=C1)N=CC=N2 O=C1NC(=O)\C(S1)=C\C1=CC2=C(C=C1)N=CC=N2 is A quinoxaline derivative  that is quinoxaline in which the hydrogen at position 6 is replaced by a (2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl group. It is a potent inhibitor of the PI3Kgamma, with an IC50 of 8 nM and inhibits the progression of joint inflammation and damage in both lymphocyte-independent and dependent mouse models of rheumatoid arthritis. It has the role of antirheumatic drug . It has the role of EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor . It has the role of anti-inflammatory agent . It is also related to or classified as quinoxaline derivative , thiazolidinediones .
The molecule C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@@H]2[C@@H](NC(C)=O)[C@@H](O[C@H](CO)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O[C@@H]2[C@@H](NC(C)=O)[C@@H](O[C@H](CO)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O is A branched amino hexasaccharide made up from two fucose, two galactose, one glucosamine and one glucose unit (at the reducing end). It is also related to or classified as glucosamine oligosaccharide , amino hexasaccharide .
The molecule [H][C@@]12CC[C@@](C)(O)[C@]1([H])[C@H](O)[C@@](O)(CC[C@]2(C)O)C(C)C [H][C@@]12CC[C@@](C)(O)[C@]1([H])[C@H](O)[C@@](O)(CC[C@]2(C)O)C(C)C is A guaiane sesquiterpenoid that is 1,5-cis-guaiane substituted by hydroxy groups at positions 4, 6, 7 and 10. It is isolated from the rhizomes of Alisma orientale and exhibits antihepatitis B activity. It has the role of metabolite . It has the role of anti-HBV agent . It is also related to or classified as tertiary alcohol  . It is also related to or classified as secondary alcohol  . It is also related to or classified as guaiane sesquiterpenoid , carbobicyclic compound .
The molecule N[O] is the parent compound of the aminoxyl group of radicals. It is an inorganic radical and a member of reactive nitrogen species.
The molecule C(CCCCO)CCC[C@H]1[C@H](O1)CCCCCCCC(=O)O is a 9,10-epoxy-18-hydroxyoctadecanoic acid in which the chiral centres at positions 9 and 10 have R- and S-configuration respectively. It is a conjugate acid of a (9R,10S)-9,10-epoxy-18-hydroxyoctadecanoate. It is an enantiomer of a (9S,10R)-9,10-epoxy-18-hydroxyoctadecanoic acid.
The molecule S1S[C@]23N([C@@H]4[C@@H](O)[C@@H](O)CC([C@@H]4C2)=O)C([C@]15N([C@@H]6[C@@H](O)[C@@H](OC)CC([C@@H]6C5)=O)C3=O)=O S1S[C@]23N([C@@H]4[C@@H](O)[C@@H](O)CC([C@@H]4C2)=O)C([C@]15N([C@@H]6[C@@H](O)[C@@H](OC)CC([C@@H]6C5)=O)C3=O)=O is Brocazine D.  It is also related to or classified as organic disulfide  .  It is also related to or classified as 2,5-diketopiperazines  . It is also related to or classified as indoles , organic heteropentacyclic compound .
The molecule CC(=O)N1[C@H]([C@@H]([C@H]1CO)C2=CC=C(C=C2)C3=CC=CC(=C3)C#N)CN(C)C(=O)C CC(=O)N1[C@H]([C@@H]([C@H]1CO)C2=CC=C(C=C2)C3=CC=CC(=C3)C#N)CN(C)C(=O)C is N-[[(2R,3S,4S)-1-acetyl-3-[4-(3-cyanophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-methylacetamide. It is also related to or classified as nitrile  . It is also related to or classified as biphenyls .
The molecule O=C(OC)C1=C(O)C=C(C=O)C(=C1C)O O=C(OC)C1=C(O)C=C(C=O)C(=C1C)O is Hypoxyphenone. It is also related to or classified as phenols  . It is also related to or classified as benzoate ester .
The molecule O[C@@H](C([O-])=O)c1ccccc1 O[C@@H](C([O-])=O)c1ccccc1 is A mandelate that is the conjugate base of (R)-mandelic acid. It is also related to or classified as mandelate  .
The molecule S(O[C@@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)OC[C@H]3O[C@H](O)[C@H](NC(=O)C)[C@@H](O[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO)[C@H]3O)O[C@@H]1CO)(O)(=O)=O S(O[C@@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)OC[C@H]3O[C@H](O)[C@H](NC(=O)C)[C@@H](O[C@@H]4O[C@@H]([C@H](O)[C@H](O)[C@H]4O)CO)[C@H]3O)O[C@@H]1CO)(O)(=O)=O is [(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-Acetamido-6-[[(2R,3R,4R,5R,6S)-5-acetamido-3,6-dihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate. It is also related to or classified as carbohydrates and carbohydrate derivatives .
The molecule CC(C)(CO)[C@@H](O)C([O-])=O CC(C)(CO)[C@@H](O)C([O-])=O is (R)-pantoate. It has the role of Saccharomyces cerevisiae metabolite . It is also related to or classified as hydroxy monocarboxylic acid anion .
The molecule CC(C)CCCCCCCCCCC[C@@H](O)[C@@H](N)COP(O)(O)=O CC(C)CCCCCCCCCCC[C@@H](O)[C@@H](N)COP(O)(O)=O is A phosphosphingolipid that is 15-methylhexadecasphinganine bearing a single phospho substituent at position 1. Its functional parent is 15-methylhexadecasphinganine . It is a conjugate acid of 15-methylhexadecasphinganine 1-phosphate(1-) . It is also related to or classified as sphingoid 1-phosphate  .
The molecule [Cl-].CCCCCCCCn1cc[n+](C)c1 [Cl-].CCCCCCCCn1cc[n+](C)c1 is an organic chloride salt in which the cationic component is 3-methyl-1-octylimidazolium. It is also related to or classified as organic chloride salt .
The molecule [H][C@@]12[C@]3(C)CCC[C@]1(C)c1cc4c(O)ccc(O)c4cc1C(=O)[C@]2(O)OC3 [H][C@@]12[C@]3(C)CCC[C@]1(C)c1cc4c(O)ccc(O)c4cc1C(=O)[C@]2(O)OC3 is an organic heteropentacyclic compound comprising (2aS,5aR,8aR,8bS)-8a-hydroxy-2a,5a-dimethyldecahydro-8H-naphtho[1,8-bc]furan-8-one ortho-fused to C-6 and C-7 of naphthalene-1,4-diol. An antiplasmodial drug isolated from New Caledonian deep water sponge. It has the role of metabolite . It has the role of antiplasmodial drug . Its functional parent is naphthalene-1,4-diol . It is also related to or classified as polyphenol , organic heteropentacyclic compound , cyclic ketone , cyclic hemiketal .
The molecule CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)[O-] is a monocarboxylic acid anion that is the conjugate base of tolmetin, obtained by deprotonation of the carboxy group. It is a conjugate base of a tolmetin.
The molecule C1=CC2=C(C(C1O)O)NC(=CC2=O)C(=O)[O-] is conjugate base of 7,8-dihydro-7,8-dihydroxykynurenic acid; major species at pH 7.3. It is a quinolinemonocarboxylate and a hydroxy monocarboxylic acid anion. It is a conjugate base of a 7,8-dihydro-7,8-dihydroxykynurenic acid.
The molecule CCCCCC(=O)OC1C(C(C/C(=C/C(=O)OC)/C2(COC3=C2C1=CC4=C3OCO4)C(=O)C(=O)OC)C)C is an organic heterotetracyclic compound isolated from the stems of Kadsura matsudai. It has a role as a plant metabolite. It is an organic heterotetracyclic compound, a cyclic ether, a methyl ester, an alpha-ketoester, an enoate ester and a hexanoate ester.
The molecule C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)[C@H](O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=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](NC(C)=O)[C@H](O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O is A branched amino octasaccharide comprised of a sequence of beta-D-galactose, N-acetyl-beta-D-glucosamine, beta-D-galactose, N-acetyl-beta-D-glucosamine,beta-D-galactose and N-acetyl-beta-D-glucosamine residues, linked (1->4), (1->3), (1->4), (1->3) and (1->4), to the reducing-end and centrally positioned GlcNAc residues of which are also (1->3)-linked alpha-L-fucose residues. It has the role of epitope . It is also related to or classified as glucosamine oligosaccharide , amino octasaccharide .
The molecule CCCCCCCCn1cc[n+](C)c1 CCCCCCCCn1cc[n+](C)c1 is A 1-alkyl-3-methylimidazolium in which the alkyl substituent at C-1 is octyl. It is also related to or classified as 1-alkyl-3-methylimidazolium  .
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)OC)OC)OC(=O)C is a monosaccharide derivative that is the 4-O-acetyl-2,3-di-O-methyl derivative of alpha-L-fucopyranose. It has a role as an epitope. It derives from an alpha-L-fucose.
The molecule C[C@]1(CC[C@@H]2C(=CC[C@@H]3[C@@]2(CCC[C@]3(C)CO)C)C1)C=C is a pimarane diterpenoid that is pimarane which has been dehyrogenated to introduce double bonds at positions 7-8 and 15-16, which has a beta-hydrogen in place of an alpha-hydrogen at position 9, and in which one of the hydrogens of the beta-methyl group at position 4 has been replaced by a hydroxy group. It is a pimarane diterpenoid and a primary alcohol.
The molecule [H][C@@]12[C@]3(C)CCC[C@]1(C)c1cc4C(=O)C5=C(C(=O)c4cc1C(=O)[C@]2(O)OC3)S(=O)(=O)CCN5 [H][C@@]12[C@]3(C)CCC[C@]1(C)c1cc4C(=O)C5=C(C(=O)c4cc1C(=O)[C@]2(O)OC3)S(=O)(=O)CCN5 is an organic heterohexacyclic compound that is isolated from New Caledonian deep water sponge and exhibits antiplasmodial properties. It has the role of metabolite . It has the role of antiplasmodial drug . Its functional parent is alisiaquinone A .  It is also related to or classified as secondary amine  . It is also related to or classified as sulfone  . It is also related to or classified as p-quinones , organic heterohexacyclic compound , cyclic hemiketal .
The molecule C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)C(=O)NC4=CC=C(C=C4)OC C[C@@H]1CCCCO[C@@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3CCCCC3)[C@@H](C)CO)C)CN(C)C(=O)NC4=CC=C(C=C4)OC is N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-9-[[[(4-methoxyanilino)-oxomethyl]-methylamino]methyl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]cyclohexanecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .