anonymous041/ChEBI-Augmented huggingface dataset:
The molecule C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2[C@@H](O[C@@H]([C@@H]([C@@H]2O)O)CO)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)OC[C@@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)O[C@@H]5[C@H](OC([C@@H]([C@H]5O)O)O)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@@]7(C[C@@H]([C@H]([C@@H](O7)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O[C@@]9(C[C@@H]([C@H]([C@@H](O9)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)CO)O)O)O C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2[C@@H](O[C@@H]([C@@H]([C@@H]2O)O)CO)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)OC[C@@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)O[C@@H]5[C@H](OC([C@@H]([C@H]5O)O)O)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@@]7(C[C@@H]([C@H]([C@@H](O7)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O[C@@]9(C[C@@H]([C@H]([C@@H](O9)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)CO)O)O)O is human Milk Oligosaccharide (HMO). It is also related to or classified as organic molecular entity .
The molecule C[C@H]1CC[C@H]2[C@@]([C@]3([C@H](C[C@]4([C@@H]5CC[C@H]6[C@]7([C@]5(C[C@]4([C@@H]3CN2C1)O)O[C@@]6([C@@H](CC7)O)O)C)O)O)O)(C)O is a steroid consisting of cevane having an oxygen bridge between positions 4 and 9 and carrying seven additional hydroxy substituents. It has a role as an insecticide. It derives from a hydride of a cevane.
The molecule CC(=CCC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CC1=C(C(=CC(=C1)C(=O)O)O)O)/C)/C)/C)/C)/C)/C)/C)C is a dihydroxybenzoic acid where the hydroxy groups are at the 4- and 5-positions together with a octaprenyl group at the 3-position. It is a conjugate acid of a 3,4-dihydroxy-5-all-trans-octaprenylbenzoate.
The molecule C1=C[C@H]([C@@H](O[C@H]1CC(=O)NCCC2=CC=NC=C2)CO)NC(=O)C3=CC=C(C=C3)F C1=C[C@H]([C@@H](O[C@H]1CC(=O)NCCC2=CC=NC=C2)CO)NC(=O)C3=CC=C(C=C3)F is 4-fluoro-N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule [H]C1(C(=O)NC=2C=NN(C2Cl)C)C(=O)N(C)CC1([H])C=3C=C(C=C(C3)C)C [H]C1(C(=O)NC=2C=NN(C2Cl)C)C(=O)N(C)CC1([H])C=3C=C(C=C(C3)C)C is A member of the class of pyrrolidinones that is pyrrolidin-2-one substituted by methyl, (5-chloro-1-methyl-1H-pyrazol-4-yl)aminoacyl, and 3,5-dimethylphenyl groups at positions 1, 3, and 4, respectively (the 3S,4S-stereoisomer). It is a herbicide developed by Qingdao KingAgroot Chemical Compound Co. Ltd, China. It has the role of herbicide . It is also related to or classified as secondary carboxamide  .  It is also related to or classified as organochlorine compound  . It is also related to or classified as pyrazoles , pyrrolidinone , methylbenzene , tertiary amino compound .
The molecule CCCCCCCCCCCC(=O)O[C@H]1[C@@H](O[C@H]([C@@H]([C@@H]1O)OC(=O)/C=C/C2=CC=CC=C2)O[C@H]3[C@@H](O[C@H]([C@@H]([C@@H]3OC(=O)CCCCCCCCC)O)O[C@H]4[C@@H](O[C@@H]5[C@@H]([C@@H]4OC(=O)CCCCCCCCC[C@@H](O[C@H]6[C@H](O5)[C@H]([C@H]([C@H](O6)C)O)O)CCCCC)O)C)C)C is a resin glycoside that is the tetrasaccharide derivative of jalapinolic acid. It has been isolated from Ipomoea batatas. It has a role as a metabolite. It is a cinnamate ester, a macrocyclic lactone, a resin glycoside, a tetrasaccharide derivative, a dodecanoate ester and a decanoate ester. It derives from a trans-cinnamic acid and a jalapinolic acid.
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](O[C@H]([C@@H]([C@H]3O)NC(=O)C)OC[C@@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)O[C@@H]5[C@H](OC([C@@H]([C@H]5O)O)O)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)NC(=O)C)O)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)O)NC(=O)C)O)CO)O[C@H]%10[C@@H]([C@H]([C@H]([C@H](O%10)CO)O)O)O)O 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](O[C@H]([C@@H]([C@H]3O)NC(=O)C)OC[C@@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)O[C@@H]5[C@H](OC([C@@H]([C@H]5O)O)O)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)NC(=O)C)O)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)O)NC(=O)C)O)CO)O[C@H]%10[C@@H]([C@H]([C@H]([C@H](O%10)CO)O)O)O)O is human milk oligosaccharide (HMO. It is also related to or classified as organic molecular entity .
The molecule C1[C@@H](C(=O)OC[C@@H](C(=O)OC[C@@H](C(=O)O1)NC(=O)C2=C(C(=CC=C2)O)O)NC(=O)C3=C(C(=CC=C3)O)[O-])NC(=O)C4=C(C(=CC=C4)O)O is a phenolate anion that is the conjugate base of enterobactin, obtained by deprotonation of one of the phenolic hydroxy groups. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It has a role as a siderophore and a bacterial metabolite. It is a conjugate base of an enterobactin.
The molecule [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(C)onc1-c1ccccc1)C(O)=O [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(C)onc1-c1ccccc1)C(O)=O is A penicillin antibiotic carrying a 5-methyl-3-phenylisoxazole-4-carboxamide group at position 6beta. It has the role of antibacterial agent . It has the role of antibacterial drug . It is a conjugate acid of oxacillin(1-) . It is also related to or classified as penicillin  .
The molecule OCC(=O)[C@@H](O)[C@H](O)[C@H](O)C([O-])=O OCC(=O)[C@@H](O)[C@H](O)[C@H](O)C([O-])=O is the straight-chain keto form of D-fructuronate. It is also related to or classified as D-fructuronate  .
The molecule FC(F)(F)C=1N=CN(N1)C2=NC(OC3=CC=CC(=C3)C(F)(F)F)=C(C=C2)CC FC(F)(F)C=1N=CN(N1)C2=NC(OC3=CC=CC(=C3)C(F)(F)F)=C(C=C2)CC is A member of the class of pyridines that is pyridine substituted by 3-(trifluoromethyl)phenoxy, ethyl, and 3-(trifluoromethyl)-1H-1,2,4-triazol-1-yl groups at positions 2, 3, and 6, respectively. It is a herbicide developed by Qingdao KingAgroot Chemical Compound Co. Ltd, China. It has the role of herbicide . It is also related to or classified as pyridines , aromatic ether , triazoles , (trifluoromethyl)benzenes .
The molecule C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)C4=CC=NC=C4 C[C@H]1CCCCO[C@@H]([C@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)C3=CC=CC=C3)[C@H](C)CO)C)CN(C)C(=O)C4=CC=NC=C4 is N-[[(3S,9S,10S)-16-benzamido-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-9-yl]methyl]-N-methyl-4-pyridinecarboxamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CC(C)C(C)C is an alkane that is butane substituted by a methyl group at positions 2 and 3. It is an alkane and a volatile organic compound. It derives from a hydride of a butane.
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](O[C@H]([C@@H]([C@H]3O)NC(=O)C)OC[C@@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)O[C@@H]5[C@H](OC([C@@H]([C@H]5O)O)O)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)NC(=O)C)O)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)NC(=O)C)O)CO)O[C@H]%10[C@@H]([C@H]([C@H]([C@H](O%10)CO)O)O)O)O 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](O[C@H]([C@@H]([C@H]3O)NC(=O)C)OC[C@@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)O[C@@H]5[C@H](OC([C@@H]([C@H]5O)O)O)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)NC(=O)C)O)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O)NC(=O)C)O)CO)O[C@H]%10[C@@H]([C@H]([C@H]([C@H](O%10)CO)O)O)O)O is human milk oligosaccharide (HMO). It is also related to or classified as organic molecular entity .
The molecule CCCCCCCCCCC/C=C/CCCCC(=O)[O-] is an unsaturated fatty acid anion resulting from the deprotonation of the carboxy group of petroselaidic acid. The major species at pH 7.3. It is a long-chain fatty acid anion and an unsaturated fatty acid anion. It is a conjugate base of a petroselaidic acid.
The molecule NC(NCCC[C@H]([NH3+])C([O-])=O)=NO NC(NCCC[C@H]([NH3+])C([O-])=O)=NO is zwitterionic form of N(5)-[amino(hydroxyimino)methyl]-L-ornithine having an anionic carboxy group and a protonated alpha-amino group. It is also related to or classified as amino-acid zwitterion .
The molecule Cl.[H]C(O)(C=1C=CN=C2C=CC(OC)=CC21)C3([H])N4CCC([H])(C3)C([H])(C=C)C4.O Cl.[H]C(O)(C=1C=CN=C2C=CC(OC)=CC21)C3([H])N4CCC([H])(C3)C([H])(C=C)C4.O is quinidine hydrochloride monohydrate. It has the role of potassium channel blocker . It is also related to or classified as organic molecular entity .
The molecule O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C3=C(OC(C(O)C3=O)C4=CC(O)=C(O)C=C4)C=C(OC)C2)CO O1[C@@H]([C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC=2C3=C(OC(C(O)C3=O)C4=CC(O)=C(O)C=C4)C=C(OC)C2)CO is Tetrahydroxy-methoxy-flavanone (dihydrorhamnetin) hexoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule C1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C=C4)O)O)O)O)O is a flavanone glycoside that is (+)-taxifolin substituted by a beta-D-xylopyranosyl residue at position 3. It has a role as a metabolite. It is a beta-D-xyloside, a member of 3'-hydroxyflavanones, a flavanone glycoside, a monosaccharide derivative and a tetrahydroxyflavanone. It derives from a (+)-taxifolin and a beta-D-xylose.
The molecule [H][C@]12CN3C4=C([C@@H](COC(N)=O)[C@@]3(OC)[C@@]1([H])N2)C(=O)C(NCCSSC1=CC=C(C=C1)[N+]([O-])=O)=C(C)C4=O [H][C@]12CN3C4=C([C@@H](COC(N)=O)[C@@]3(OC)[C@@]1([H])N2)C(=O)C(NCCSSC1=CC=C(C=C1)[N+]([O-])=O)=C(C)C4=O is an organic disulfide that is mitomycin C in which the amino group at position 7 is replaced by a {2-[(4-nitrophenyl)disulfanyl]ethyl}amino group. It is a derivative of mitomycin C with activity against a range of tumour cell lines and xenografts. It has the role of antineoplastic agent . Its functional parent is mitomycin C . It is also related to or classified as organic disulfide  . It is also related to or classified as C-nitro compound .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC is a triacyl-sn-glycerol in which the 1-acyl group is tetradecanoyl while the 2- and 3-acyl groups are hexadecanoyl. It has a role as a human blood serum metabolite. It is a triacyl-sn-glycerol and a triacylglycerol 46:0. It derives from a tetradecanoic acid and a hexadecanoic acid.
The molecule C[C@@H](C([O-])=O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 C[C@@H](C([O-])=O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12 is pentaanion of (S)-methylmalonyl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions. It has the role of human metabolite . It is also related to or classified as acyl-CoA oxoanion .
The molecule O1C2=C(C(=O)C(OC)=C1C3=CC(OC)=C(OC)C=C3)C(OC)=CC(OC)=C2OC O1C2=C(C(=O)C(OC)=C1C3=CC(OC)=C(OC)C=C3)C(OC)=CC(OC)=C2OC is 3,3',4',5,7,8-Hexamethoxyflavone. It is also related to or classified as ether  . It is also related to or classified as flavonoids .
The molecule C1=CC=C(C(=C1)CNC(=O)C[C@@H]2C=C[C@H]([C@H](O2)CO)NC(=O)C3=NC=CN=C3)F C1=CC=C(C(=C1)CNC(=O)C[C@@H]2C=C[C@H]([C@H](O2)CO)NC(=O)C3=NC=CN=C3)F is N-[(2S,3R,6R)-6-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]-2-pyrazinecarboxamide. It is also related to or classified as secondary carboxamide  . It is also related to or classified as pyrazines .
The molecule C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C[C@H]4[C@@]3(CC[C@@H](C4)O)C)C is a steroid acid anion that is the conjugate base of 3beta-hydroxy-7-oxo-5beta-cholan-24-oic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a 3beta-hydroxy-7-oxo-5beta-cholan-24-oic acid.
The molecule C[C@]1(CC[C@H]2[C@H]1C[C@H]3[C@@H](CC2=C)OC(=O)C3=C)O is a sesquiterpene lactone that is the C-8 epimer of inuviscolide. It has been isolated from the aerial parts of Inula hupehensis. It has a role as an anti-inflammatory agent and a plant metabolite. It is a gamma-lactone, an organic heterotricyclic compound, a sesquiterpene lactone and a tertiary alcohol.
The molecule CCN1\C(SC2=CC=C(OC(C)=O)C=C12)=C\C(C)=O CCN1\C(SC2=CC=C(OC(C)=O)C=C12)=C\C(C)=O is A member of the class of benzothiazoles that is 2,3-dihydro-1,3-benzothiazole substituted by 2-oxopropylidene, ethyl, and acetyloxy groups at positions 2, 3 and 5, respectively. It is the prodrug of INDY. It has the role of antineoplastic agent . It has the role of prodrug . Its functional parent is INDY .  It is also related to or classified as acetate ester  . It is also related to or classified as enone  . It is also related to or classified as benzothiazoles .
The molecule C[C@@H]1CC(=O)[C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)[NH2+]C)O)[NH2+]C)O)O is an organic cation obtained by protonation of the secondary amino groups of spectinomycin. It is an organic cation and an ammonium ion derivative. It is a conjugate acid of a spectinomycin and a spectinomycin(1+).
The molecule NC(=O)N[C@@H](CC([O-])=O)C([O-])=O NC(=O)N[C@@H](CC([O-])=O)C([O-])=O is an N-carbamoyl-L-alpha-amino acid anion obtained by deprotonation of the carboxy groups of N-carbamoyl-L-aspartic acid. It has the role of Saccharomyces cerevisiae metabolite . It has the role of human metabolite . It is also related to or classified as N-carbamoyl-L-alpha-amino acid anion  .
The molecule CC(C)CNC(=O)\C=C\c1ccc2OCOc2c1 CC(C)CNC(=O)\C=C\c1ccc2OCOc2c1 is Fagaramide. It is also related to or classified as secondary carboxamide  . It is also related to or classified as cinnamamides .
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)S(=O)(=O)C4=CC=CS4 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)S(=O)(=O)C4=CC=CS4 is N-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(thiophen-2-ylsulfonyl)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 SC(S)=S SC(S)=S is carbonotrithioic acid. It is a conjugate acid of hydrogen trithiocarbonate . It is also related to or classified as chalcocarbonic acid , thiocarbonyl compound , one-carbon compound .
The molecule CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)CO)O)O is a kaempferol O-glucoside that is the 2''-acetyl derivative of astragalin (kaempferol 3-O-glucoside). Isolated from the aerial parts of Delphinium staphisagria, it exhibits trypanocidal activity. It has a role as a trypanocidal drug and a plant metabolite. It is a trihydroxyflavone, an acetate ester, a beta-D-glucoside, a monosaccharide derivative and a kaempferol O-glucoside. It derives from a kaempferol 3-O-beta-D-glucoside.
The molecule N[C@@H](CC1=CC=C2NC3=CC=CC=C3C(=O)C2=C1)C(O)=O N[C@@H](CC1=CC=C2NC3=CC=CC=C3C(=O)C2=C1)C(O)=O is an L-alanine derivative that is L-alanine in which one of the methyl hydrogens is substituted by an acridonyl group. It is a flourescent probe used for monitoring conformational changes in proteins. It has the role of fluorescent probe . It is also related to or classified as organic heterotricyclic compound , acridone derivatives , L-alanine derivative .
The molecule C/C(=C/C=C(\\C(=O)O)/O)/C(=O)CC[C@H]1[C@@H]2CCC(=O)[C@]2(CCC1=O)C is a seco-androstane that is hexahydro-1H-indene-1,5(4H)-dione which is substituted at the 7a position by a methyl group and at the 4 position by a 1-carboxy-1-hydroxy-4-methyl-5-oxohepta-1,3-dien-7-yl group (the S,S,S-diastereoisomer). It is an enol, a 6-oxo monocarboxylic acid, a hydroxy monocarboxylic acid, a 2-hydroxy carboxylic acid, an alpha,beta-unsaturated monocarboxylic acid and a seco-androstane. It is a conjugate acid of a 3-hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oate.
The molecule OCC1OC(O)C(OC2OC(CO)C(O)C(O)C2OC3OC(CO)C(O)C(O)C3O)C(O)C1O OCC1OC(O)C(OC2OC(CO)C(O)C(O)C2OC3OC(CO)C(O)C(O)C3O)C(O)C1O is A beta-D-Manp-(1->2)-alpha-D-Manp-(1->2)-D-Manp with a beta-configuration at the anomeric position. It has the role of epitope . It is also related to or classified as beta-D-Manp-(1->2)-alpha-D-Manp-(1->2)-D-Manp  .
The molecule SC(S)=O SC(S)=O is carbonodithioic S,S-acid. It is also related to or classified as carbonodithioic acid , one-carbon compound .
The molecule [C@@H]1([C@H]([C@H](O[C@H]([C@@H]1O)O)C(=O)[O-])O)O is a D-galactopyranuronate that has beta configuration at the anomeric centre. It is a conjugate base of a beta-D-galacturonic acid.
The molecule C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)[C@H](C)CO)C)CN(C)CC4CC4 C[C@@H]1CCCCO[C@H]([C@@H](CN(C(=O)C2=C(O1)C=CC(=C2)NC(=O)NC3=C(ON=C3C)C)[C@H](C)CO)C)CN(C)CC4CC4 is 1-[(3R,9R,10R)-9-[[cyclopropylmethyl(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-(3,5-dimethyl-4-isoxazolyl)urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C[NH+]1CCC[C@@H]1CC2=CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4 is an ammonium ion that is obtained by protonation of the pyrrolidine nitrogen of eletriptan. It is a conjugate acid of an eletriptan.
The molecule C(CCC(C/C=C\C/C=C\CC)O)CCCCCC(=O)[O-] C(CCC(C/C=C\C/C=C\CC)O)CCCCCC(=O)[O-] is (12Z,15Z)-10-hydroxyoctadecadienoate. It is also related to or classified as octadecanoid anion , hydroxy fatty acid anion .
The molecule C1CC1N is a primary aliphatic amine that consists of cyclopropane bearing a single amino substituent. It has a role as a mouse metabolite.
The molecule [C@H](C([O-])=O)(CC(=O)[O-])C(=O)C(=O)[O-] [C@H](C([O-])=O)(CC(=O)[O-])C(=O)C(=O)[O-] is an oxalatosuccinate(3-) in which the carboxy group at position 2 adopts an S-configuration. It is also related to or classified as oxalatosuccinate(3-)  .
The molecule COc1cccc2C(=O)C3=C(OC(C)(C)CC3)C(=O)c12 COc1cccc2C(=O)C3=C(OC(C)(C)CC3)C(=O)c12 is 9-Methoxy-alpha-lapachone. It is also related to or classified as organic heterotricyclic compound , organooxygen compound .
The molecule CC1=NC=C(C(=C1O)CN[C@H](C)C(=O)O)COP(=O)(O)O is a D-alanine derivative arising from reductive N-alkylation of D-alanine by pyridoxal-5-phosphate. It has a role as an epitope. It is a D-alanine derivative, a D-alpha-amino acid, a monohydroxypyridine and a phosphate monoester. It derives from a pyridoxal. It is a conjugate acid of a N-(5'-phosphonatopyridoxyl)-D-alaninate(2-). It is an enantiomer of a N-(5'-phosphopyridoxyl)-L-alanine.
The molecule CCCCCC(O)CCC(O)CCCCCCCCC([O-])=O CCCCCC(O)CCC(O)CCCCCCCCC([O-])=O is A hydroxy fatty acid anion that is the conjugate base of 10,13-dihydroxyoctadecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Its functional parent is octadecanoate . It is also related to or classified as long-chain fatty acid anion  . It is also related to or classified as hydroxy fatty acid anion .
The molecule C([C@H](C=O)O)C(=O)[O-] is an aldehydic acid anion resulting from the deprotonation of the carboxy group of (R)-3-hydroxy-4-oxobutanoic acid. It is an oxo monocarboxylic acid anion and an aldehydic acid anion. It is a conjugate base of a (R)-3-hydroxy-4-oxobutanoic acid.
The molecule CCOC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)N3CCCC3)C)C#N CCOC1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)N3CCCC3)C)C#N is 2-cyano-N-(4-ethoxyphenyl)-3-[3-methyl-4-(1-pyrrolidinyl)phenyl]-2-propenamide. It is also related to or classified as secondary carboxamide  . It is also related to or classified as cinnamamides .
The molecule C1=C[C@@H]([C@H](O[C@@H]1CC(=O)NCCC2=CC=NC=C2)CO)NC(=O)C3=CC=C(C=C3)F C1=C[C@@H]([C@H](O[C@@H]1CC(=O)NCCC2=CC=NC=C2)CO)NC(=O)C3=CC=C(C=C3)F is 4-fluoro-N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC=CC(=C3)C#N)O[C@H]1CN(C)C(=O)C4CC4)[C@@H](C)CO C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CC=CC(=C3)C#N)O[C@H]1CN(C)C(=O)C4CC4)[C@@H](C)CO is N-[[(4S,5R)-8-(3-cyanophenyl)-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylcyclopropanecarboxamide. It is also related to or classified as nitrile  . It is also related to or classified as benzenes .
The molecule ClC1=CC=C(C=C1)N2N=C(OCCNC=3N=CN=C4C=CC=CC43)C=C2 ClC1=CC=C(C=C1)N2N=C(OCCNC=3N=CN=C4C=CC=CC43)C=C2 is A quinazoline that is substituted by a (2-{[1-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy}ethyl)amino group at position 4. It is a fungicide developed by Jiangsu Yangnong Chemical Co. Ltd, China. It has the role of fungicide . It is also related to or classified as pyrazoles , aromatic amine , aromatic ether , quinazolines , secondary amino compound , monochlorobenzenes .
The molecule C1=C(C=C(C(=C1S(=O)(=O)N)Cl)Cl)S(=O)(=O)N is a sulfonamide that is benzene-1,3-disulfonamide in which the hydrogens at positions 4 and 5 are substituted by chlorine. An oral carbonic anhydrase inhibitor, it partially suppresses the secretion (inflow) of aqueous humor in the eye and so reduces intraocular pressure. It is used for the treatment of glaucoma. It has a role as an EC 4.2.1.1 (carbonic anhydrase) inhibitor, an antiglaucoma drug and an ophthalmology drug. It is a sulfonamide and a dichlorobenzene.
The molecule COC1=C2C(=O)C3=C(OC2=CC(O)=C1CC=C(C)C)C=C(O)C1=C3CC(O1)C(C)(C)O COC1=C2C(=O)C3=C(OC2=CC(O)=C1CC=C(C)C)C=C(O)C1=C3CC(O1)C(C)(C)O is cratoxylumxanthone D. It has the role of radical scavenger . It has the role of plant metabolite . It has the role of fungal metabolite . It is also related to or classified as tertiary alcohol  . It is also related to or classified as phenols  . It is also related to or classified as aromatic ether , xanthones , olefinic compound .
The molecule C1[C@@H]([C@H]([C@@H]([C@H]([C@H]1[NH2+][C@H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)COP(=O)([O-])[O-] is an organophosphate oxoanion obtained by deprotonation of the phosphate OH groups and protonation of the amino group of validoxylamine A 7'-phosphate; major species at pH 7.3. It is a conjugate base of a validoxylamine A 7'-phosphate.
The molecule C1=C[C@H]([C@@H](O[C@@H]1CC(=O)NCCC2=CC=NC=C2)CO)NC(=O)C3=CC=C(C=C3)F C1=C[C@H]([C@@H](O[C@@H]1CC(=O)NCCC2=CC=NC=C2)CO)NC(=O)C3=CC=C(C=C3)F is 4-fluoro-N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(2-pyridin-4-ylethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]benzamide. It is also related to or classified as organohalogen compound  . It is also related to or classified as carbonyl compound .
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)OCCCCCCCCCCCCCCCCCCCCC(=O)[O-])O)O is a hydroxy fatty acid ascaroside anion resulting from the deprotonation of the carboxy group of oscr#38. The conjugate base of oscr#38 and the major species at pH 7.3. It is a conjugate base of an oscr#38.
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,9R,10R)-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 C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)N is a dipeptide obtained by formal condensation of the carboxy group of L-alanine with the alpha-amino group of L-lysine. It has a role as a marine metabolite.