anonymous041/ChEBI-Augmented huggingface dataset:
The molecule CC(=CCC(COP(=O)(O)OP(=O)(O)O)C(=C)C)C is the O-diphospho derivative of lavandulol. It derives from a lavandulol. It is a conjugate acid of a lavandulyl diphosphate(3-).
The molecule C#[N+][S-] is a nitrile sulfide, a hydracid and a one-carbon compound. It is a conjugate acid of a thiofulminate. It is a tautomer of an isothiofulminic acid.
The molecule O1C(C2C(C(OC2)C3=CC=4OCOC4C=C3)C1)C=5C(OC6OC(C(O)C(O)C6OC7OC(C(O)C(O)C7O)CO)CO)=CC=8OCOC8C5 O1C(C2C(C(OC2)C3=CC=4OCOC4C=C3)C1)C=5C(OC6OC(C(O)C(O)C6OC7OC(C(O)C(O)C7O)CO)CO)=CC=8OCOC8C5 is Sesaminol glucosyl-(1->2)-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as lignan  .
The molecule C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3C)C(=O)N(C[C@@H]1OC)C)C)S(=O)(=O)C C[C@H]1CN([C@@H](COC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3C)C(=O)N(C[C@@H]1OC)C)C)S(=O)(=O)C is N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-8-methylsulfonyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methylbenzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CCCCCCCCCCCCCCC(=O)C(O)=O CCCCCCCCCCCCCCC(=O)C(O)=O is an oxo fatty acid that is the 2-oxo derivative of hexadecanoic (palmitic) acid. Its functional parent is hexadecanoic acid . It is a conjugate acid of 2-oxohexadecanoate . It is also related to or classified as long-chain fatty acid  . It is also related to or classified as straight-chain fatty acid , oxo fatty acid .
The molecule C=1(C=CC(=CC1)C)N2C(NC(/C(/C2=O)=C/C=C/C=3C=CC(=CC3)N(C)C)=O)=O C=1(C=CC(=CC1)C)N2C(NC(/C(/C2=O)=C/C=C/C=3C=CC(=CC3)N(C)C)=O)=O is A member of the class of barbiturates that is barbituric acid in which one of the nitrogens (position 1) is substituted by a p-tolyl group while the carbon at position 5 is substituted by a (2E)-3-[p-(dimethylamino)phenyl]allylidene group. It has significant osteogenic activity. It has the role of osteogenesis regulator . It is also related to or classified as barbiturates  . It is also related to or classified as substituted aniline .
The molecule CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\\CCCCCCCC is a 2-acyl-1-alkyl-sn-glycero-3-phosphocholine betaine in which the alkyl and the acyl groups at positions 1 and 2 are hexadecyl and oleoyl respectively. It derives from an oleic acid and a lysophosphatidylcholine O-16:0/0:0.
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)O[C@H](C)CCCCCCCCCCCCCCCC[C@H](CC(=O)O)O)O)O is an (omega-1)-hydroxy fatty acid ascaroside that is ascr#38 in which the pro-R hydrogen that is beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is an (omega-1)-hydroxy fatty acid ascaroside, a 3-hydroxy carboxylic acid and a monocarboxylic acid. It derives from an ascr#38 and a (3R,20R)-3,20-dihydroxyhenicosanoic acid. It is a conjugate acid of a bhas#38(1-).
The molecule CCCCCCCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O is an unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of trans-2-heptadecenoic acid. It is a long-chain fatty acyl-CoA, a trans-2-enoyl-CoA, an 11,12-saturated fatty acyl-CoA and a monounsaturated fatty acyl-CoA. It is a conjugate acid of a trans-2-heptadecenoyl-CoA(4-).
The molecule COC1=CC=C(\C=C\C2=CC(O)=CC(O[C@@H]3O[C@H](COC(=O)CC([O-])=O)[C@@H](O)[C@H](O)[C@H]3O)=C2)C=C1O COC1=CC=C(\C=C\C2=CC(O)=CC(O[C@@H]3O[C@H](COC(=O)CC([O-])=O)[C@@H](O)[C@H](O)[C@H]3O)=C2)C=C1O is A dicarboxylic acid monoester(1-) that is the conjugate base of 6-O-malonyl-trans-rhaponticin, resulting from the deprotonation of the carboxy group. Major microspecies at pH 7.3. It is also related to or classified as dicarboxylic acid monoester(1-) .
The molecule [H][C@@]12Cc3ccc(OC)c(OC)c3C[N+]1(C)CCc1cc3OCOc3cc21 [H][C@@]12Cc3ccc(OC)c(OC)c3C[N+]1(C)CCc1cc3OCOc3cc21 is A quaternary ammonium ion that is (S)-canadine bearing an N-methyl substituent. Its functional parent is (S)-canadine . It is also related to or classified as quaternary ammonium ion  .
The molecule CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC(=O)CCCCCCCCC/C=C\\CCCCCC is a 1,2-diacyl-3-alpha-D-galactosyl-sn-glycerol in which the acyl groups at positions 1 and 2 are palmitoyl (hexadecanoyl) and cis-vaccenoyl [(11Z)-octadec-11-enoyl] respectively.
The molecule O1[C@@H]([C@H]([C@@H]([C@H]1OCCON=C(C(=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC(N)=O)C(N2[C@H](C(=O)N)CCC2)=O)=O)C(C)C)=O)C(C)C)=O)CC=3C=CC(=CC3)O)=O)[C@H](O)C)=O)[C@H](O)C)[H])O)O)CO[C@H]4O[C@@H]([C@H]([C@@H]4O)O[C@H]5O[C@@H]([C@H]([C@@H]5O[C@@H]6O[C@@H]([C@H]([C@@H]6O)O)CO)O)CO)CO[C@H]7O[C@@H]([C@H]([C@@H]7O[C@@H]8O[C@@H]([C@H]([C@@H]8O)O)CO)O)CO O1[C@@H]([C@H]([C@@H]([C@H]1OCCON=C(C(=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC(N)=O)C(N2[C@H](C(=O)N)CCC2)=O)=O)C(C)C)=O)C(C)C)=O)CC=3C=CC(=CC3)O)=O)[C@H](O)C)=O)[C@H](O)C)[H])O)O)CO[C@H]4O[C@@H]([C@H]([C@@H]4O)O[C@H]5O[C@@H]([C@H]([C@@H]5O[C@@H]6O[C@@H]([C@H]([C@@H]6O)O)CO)O)CO)CO[C@H]7O[C@@H]([C@H]([C@@H]7O[C@@H]8O[C@@H]([C@H]([C@@H]8O)O)CO)O)CO is A glycopeptide consisting of the Ara6 epitope attached to a Thr-Thr-Tyr-Val-Val-Asn-Pro-NH2 heptapeptide via a [(2-hydroxyethoxy)imino]acetyl linker. It is also related to or classified as glycopeptide  .
The molecule CC(=CCC/C(=C/COC=O)/C)C is the formate ester of geraniol. It has a role as an alarm pheromone and a plant metabolite. It derives from a geraniol.
The molecule C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)Br)COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O)O)N4C5=C(C(=O)NC(=N5)N)N=C4Br)O.C1[C@@H]([C@H](O[C@H]1N2C=C(C(=NC2=O)N)Br)COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O)O)N4C5=C(C(=O)NC(=N5)N)N=C4Br)O is a double-stranded DNA polynucleotide consisting of two complementary strands consisting of repeating units of brominated guanosine and deoxycytidine residues, all residues in each strand being connected by 3'->5' phosphodiester linkages. The sites of bromination are at C-8 of guanine and C-5 of cytosine, although not all these sites are brominated, with bromination at the guanine C-8 predominating. It contains a brominated poly[d(GC)].
The molecule C[C@H]1[C@@H](C[C@H]([C@@H](O1)O[C@H](C)CCCCCCCCCCCCCCC[C@H](CC(=O)O)O)O)O is an (omega-1)-hydroxy fatty acid ascaroside that is ascr#36 in which the pro-R hydrogen that is beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans. It has a role as a Caenorhabditis elegans metabolite. It is an (omega-1)-hydroxy fatty acid ascaroside, a 3-hydroxy carboxylic acid and a monocarboxylic acid. It derives from an ascr#36 and a (3R,19R)-19-dihydroxyicosanoic acid. It is a conjugate acid of a bhas#36(1-).
The molecule O(C(C1=CC=CC=C1)C)C=O O(C(C1=CC=CC=C1)C)C=O is 1-Phenylethyl formate. Its functional parent is benzyl alcohol . It is also related to or classified as carboxylic ester  .
The molecule C1=CC(=CN=C1)C(=O)NC2=NN=C(S2)C(F)(F)F C1=CC(=CN=C1)C(=O)NC2=NN=C(S2)C(F)(F)F is N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-3-pyridinecarboxamide. Its functional parent is nicotinamide . It is also related to or classified as pyridinecarboxamide .
The molecule O=C1OC(=CC2=CC(OC)=C(O)C=C2)C(=C1CC3=CC=CC=C3)C O=C1OC(=CC2=CC(OC)=C(O)C=C2)C(=C1CC3=CC=CC=C3)C is Nostoclide N2. It is also related to or classified as phenols  . It is also related to or classified as methoxybenzenes .
The molecule ClC1=CC=CC(Cl)=C1N1C2=NC=CN2C2=C(C=NC(NC3=CC=C(C=C3)N3CCOCC3)=N2)C1=O ClC1=CC=CC(Cl)=C1N1C2=NC=CN2C2=C(C=NC(NC3=CC=C(C=C3)N3CCOCC3)=N2)C1=O is A member of the class of imidazopyrimidopyrimidines that is 5,6-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidine substituted by [4-(morpholin-4-yl)phenyl]amino, oxo and 2,6-dichlorophenyl groups at positions 2, 5 and 6, respectively. It is a potent inhibitor of Wee-1 kinase (Ki = <10 nM). It has the role of antineoplastic agent . It has the role of EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor .  It is also related to or classified as dichlorobenzene  . It is also related to or classified as imidazopyrimidopyrimidine , morpholines , secondary amino compound .
The molecule O([C@H]1C[C@H](O)[C@@H](CO1)O)[C@@H]2C=3C(=C(O)C4=C(C3O)C(=O)C=5C(C4=O)=CC=CC5)C[C@](C2)(C(C)O)N O([C@H]1C[C@H](O)[C@@H](CO1)O)[C@@H]2C=3C(=C(O)C4=C(C3O)C(=O)C=5C(C4=O)=CC=CC5)C[C@](C2)(C(C)O)N is A diastereoisomeric mixture resulting from the formal reduction of the acetyl group at position 9 of amrubicin to the corresponding 1-hydroxyethyl group. The active metabolite of amrubicin in lung cancer patients. It has the role of topoisomerase II inhibitor . It has the role of antineoplastic agent . It has the role of apoptosis inducer . Its functional parent is amrubicin . It is also related to or classified as secondary alcohol  . It is also related to or classified as quinone  . It is also related to or classified as tetracenes , diastereoisomeric mixture .
The molecule CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@H](CN([C@@H](CO2)C)CC3CCCCC3)C)OC)C CCC(=O)NC1=CC2=C(C=C1)C(=O)N(C[C@H]([C@H](CN([C@@H](CO2)C)CC3CCCCC3)C)OC)C is N-[(5S,6S,9R)-8-(cyclohexylmethyl)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]propanamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule CP(=O)(CC[C@@H](C(=O)[O-])[NH3+])O is an amino acid zwitterion resulting from the transfer of a proton from the carboxy group to the amino group of glufosinate-P. It is a conjugate acid of a glufosinate-P zwitterion(1-). It is an enantiomer of a (2R)-glufosinate zwitterion. It is a tautomer of a glufosinate-P.
The molecule O1[C@@H]([C@H]([C@@H]([C@H]1OCCON=C(C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N)=O)CCCNC(=N)N)=O)CC(C)C)=O)[C@H](O)C)=O)C)=O)CC=2N=CNC2)=O)C)CC(=O)O)[H])O)O)CO[C@H]3O[C@@H]([C@H]([C@@H]3O)O[C@H]4O[C@@H]([C@H]([C@@H]4O[C@@H]5O[C@@H]([C@H]([C@@H]5O)O)CO)O)CO)CO[C@H]6O[C@@H]([C@H]([C@@H]6O[C@@H]7O[C@@H]([C@H]([C@@H]7O)O)CO)O)CO O1[C@@H]([C@H]([C@@H]([C@H]1OCCON=C(C(=O)N[C@H](C(=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N)=O)CCCNC(=N)N)=O)CC(C)C)=O)[C@H](O)C)=O)C)=O)CC=2N=CNC2)=O)C)CC(=O)O)[H])O)O)CO[C@H]3O[C@@H]([C@H]([C@@H]3O)O[C@H]4O[C@@H]([C@H]([C@@H]4O[C@@H]5O[C@@H]([C@H]([C@@H]5O)O)CO)O)CO)CO[C@H]6O[C@@H]([C@H]([C@@H]6O[C@@H]7O[C@@H]([C@H]([C@@H]7O)O)CO)O)CO is A glycopeptide consisting of the Ara6 epitope attached to an Asp-Ala-His-Ala-Thr-Leu-Arg-NH2 heptapeptide via a [(2-hydroxyethoxy)imino]acetyl linker. It is also related to or classified as glycopeptide  .
The molecule CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O is a lysophosphatidylcholine O-16:0e in which the hexadecyl group at C-1 contains 16 carbons of which none are unsaturated. It has a role as a metabolite. It is a lysophosphatidylcholine O-16:0 and a 1-alkyl-sn-glycero-3-phosphocholine.
The molecule C1[C@@](C(=O)C2=C(O1)C=C(C=C2)O)(CC3=CC=C(C=C3)O)O is a homoisoflavonoid that is 2,3-dihydro-4H-1-benzopyran-4-one substituted by hydroxy groups at positions 3 and 7 and a (4-hydroxyphenyl)methyl group at position 3 respectively (the 3R-stereoisomer). It has been isolated from Caesalpinia sappan. It has a role as a plant metabolite. It is a homoisoflavonoid, a polyphenol and a tertiary alpha-hydroxy ketone.
The molecule COC(=O)CC1=CNC2=CC=CC=C21 is the methyl ester of indole-3-acetic acid. It has a role as an antineoplastic agent and a metabolite. It is a member of indoles and a methyl ester. It derives from an indole-3-acetic acid.
The molecule OP(=O)(O[C@@H]1[C@@H]([C@@H](OC(C)(C(O)=O)OP(=O)(O)O)[C@H](O)[C@H](O1)CO)NC(C)=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C(=O)NC(C=C3)=O)O)O OP(=O)(O[C@@H]1[C@@H]([C@@H](OC(C)(C(O)=O)OP(=O)(O)O)[C@H](O)[C@H](O1)CO)NC(C)=O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C(=O)NC(C=C3)=O)O)O is 2-[(2R,3R,4R,5S,6R)-3-Acetamido-2-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-phosphonooxypropanoic acid. It has the role of anticoronaviral agent . It is also related to or classified as pyrimidine nucleotide-sugar .
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)S(=O)(=O)C4=CC=C(C=C4)Cl 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)S(=O)(=O)C4=CC=C(C=C4)Cl is 1-[(3R,9R,10R)-9-[[(4-chlorophenyl)sulfonyl-methylamino]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]-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 O1C(C(O)C(O)C(O)C1OC2=C(OC3=C(C2=O)C(O)=CC(O)=C3OC)C4=CC(O)=C(OC)C=C4)CO O1C(C(O)C(O)C(O)C1OC2=C(OC3=C(C2=O)C(O)=CC(O)=C3OC)C4=CC(O)=C(OC)C=C4)CO is 4',8-Dimethylgossypetin 3-glucoside. It is also related to or classified as glycoside  . It is also related to or classified as flavonoids .
The molecule OC1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O OC1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O is A glucopyranose ring with a phosphate replacing the hydroxy in the hydroxymethyl group at position 6. Its functional parent is D-glucopyranose . It is a conjugate acid of D-glucopyranose 6-phosphate(2-) .  It is also related to or classified as D-hexopyranose 6-phosphate  . It is also related to or classified as D-glucose 6-phosphate .
The molecule CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OS(O)(=O)=O)[C@H]2NC(C)=O)[C@@H]1OS(O)(=O)=O CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](OS(O)(=O)=O)[C@H]2NC(C)=O)[C@@H]1OS(O)(=O)=O is an amino disaccharide that consists of 3-sulfated N-acetyl-D-glucosamine having a 3-sulfated N-acetyl-beta-D-galactosaminyl residue attached at position 4. It is also related to or classified as amino disaccharide , galactosamine oligosaccharide , glucosamine oligosaccharide , oligosaccharide sulfate .
The molecule [H][C@](C)(CC)c1nc2c(CCCNC(N)=N)[nH]c(cn2c1=O)-c1c[nH]c2ccccc12 [H][C@](C)(CC)c1nc2c(CCCNC(N)=N)[nH]c(cn2c1=O)-c1c[nH]c2ccccc12 is Cypridina luciferin. It has the role of luciferin .   It is also related to or classified as imidazopyrazine  . It is also related to or classified as guanidines , indoles .
The molecule CCOC(=O)CNS(=O)(=O)C1=C(C=CC(=C1)C2=NN(C(=O)C3=CC=CC=C32)C)C CCOC(=O)CNS(=O)(=O)C1=C(C=CC(=C1)C2=NN(C(=O)C3=CC=CC=C32)C)C is 2-[[2-methyl-5-(3-methyl-4-oxo-1-phthalazinyl)phenyl]sulfonylamino]acetic acid ethyl ester. It is also related to or classified as alpha-amino acid ester  .
The molecule C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)([O-])[O-])[NH3+])O)O)O is conjugate base of alpha-D-glucosamine 1-phosphate. It has a role as a Saccharomyces cerevisiae metabolite. It is a conjugate base of an alpha-D-glucosamine 1-phosphate.
The molecule C(=O)[C@@H](C(=O)[O-])[NH3+] is an amino acid zwitterion obtained by transfer of a proton from the amino to the carboxy group of L-3-oxoalanine; major microspecies at pH 7.3 (according to Marvin v 6.2.0.). It is a tautomer of a L-3-oxoalanine.
The molecule CCCCCCCCCC/C=C/CCCCCCCC(=O)O is an icosenoic acid having a trans- double bond at position 9. It is a conjugate acid of a gadelaidate.
The molecule Cl.C[C@@H](NCCCc1cccc(c1)C(F)(F)F)c1cccc2ccccc12 Cl.C[C@@H](NCCCc1cccc(c1)C(F)(F)F)c1cccc2ccccc12 is A hydrochloride derived from equimolar amounts of cinacalcet and hydrogen chloride. It has the role of calcimimetic . It has the role of P450 inhibitor . Its functional parent is cinacalcet . It is also related to or classified as hydrochloride .
The molecule C=1C=C(C=CC1C[C@](O)(C([O-])=O)[C@H](OC(/C=C/C=2C=CC(=CC2)O)=O)C([O-])=O)O C=1C=C(C=CC1C[C@](O)(C([O-])=O)[C@H](OC(/C=C/C=2C=CC(=CC2)O)=O)C([O-])=O)O is conjugate base of cimicifugic acid K; major microspecies at pH 7.3.  It is also related to or classified as carboxylic acid anion  . It is also related to or classified as benzenes .
The molecule CNC(=O)C1=C(F)C=C(C=C1)C1=NN2C(CC3=CC4=C(C=C3)N=CC=C4)=CN=C2N=C1 CNC(=O)C1=C(F)C=C(C=C1)C1=NN2C(CC3=CC4=C(C=C3)N=CC=C4)=CN=C2N=C1 is A member of the class of imidazotriazines that is imidazo[1,2-b][1,2,4]triazine substituted by 3-fluoro-4-(methylcarbamoyl)phenyl and quinolin-6-ylmethyl groups at positions 2 and 7, respectively. It is a c-Met receptor tyrosine kinase inhibitor used for the treatment of non-small cell lung cancer with MET exon 14 skipping mutation. It has the role of antineoplastic agent . It has the role of hepatotoxic agent . It has the role of apoptosis inducer . It has the role of c-Met tyrosine kinase inhibitor . It is also related to or classified as secondary carboxamide  .    It is also related to or classified as monofluorobenzenes  . It is also related to or classified as benzamides , quinolines , imidazotriazine .
The molecule S(OC1C(O)(O)C23N(C1)C(N(O)C(C3N=C(N2)N)COC(=O)N)=N)(O)(=O)=O S(OC1C(O)(O)C23N(C1)C(N(O)C(C3N=C(N2)N)COC(=O)N)=N)(O)(=O)=O is Gonyautoxin I. It has the role of marine metabolite . It is also related to or classified as organic heterotricyclic compound .
The molecule C[C@@H]1CN[C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3C)C(=O)N(C[C@@H]1OC)C)C C[C@@H]1CN[C@@H](COC2=C(C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3C)C(=O)N(C[C@@H]1OC)C)C is N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]-2-methylbenzenesulfonamide. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule C1=CC(=CC=C1CCCCC(=O)CCC2=CC=C(C=C2)O)O is a diarylheptanoid that is 3-heptanone substituted by a 4-hydroxyphenyl group at positions 1 and 7 respectively. It has been isolated from the rhizomes of Curcuma kwangsiensis. It has a role as a plant metabolite. It is a diarylheptanoid, a member of phenols and a ketone.
The molecule C1(=C(C(=C(C(=C1F)F)F)F)F)F is a member of the class of fluorobenzenes that is benzene in which all six hydrogen atom have been replaced by fluorine. It is a member of fluorobenzenes and a fluorocarbon.
The molecule C=CCC(=O)C(=O)O is a 2-oxo monocarboxylic acid. It derives from a pent-4-enoic acid. It is a conjugate acid of a 2-oxopent-4-enoate. It is a tautomer of a 2-hydroxypenta-2,4-dienoic acid.
The molecule C[C@H]1[C@H](CN(C(=O)C2=CC=CC(=C2OCC[C@@H]3CC[C@@H]([C@H](O3)CN(C1=O)C)OC)C#N)C)OC C[C@H]1[C@H](CN(C(=O)C2=CC=CC(=C2OCC[C@@H]3CC[C@@H]([C@H](O3)CN(C1=O)C)OC)C#N)C)OC is LSM-39587. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule O[C@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H](O)[C@H]1O O[C@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H](O)[C@H]1O is A D-glucopyranose 6-phosphate(2-) obtaned by deprotonation of the phosphate OH groups of alpha-D-glucose 6-phosphate; major species at pH 7.3. It has the role of fundamental metabolite . It is also related to or classified as D-glucopyranose 6-phosphate(2-)  .
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)NC3=CC=C(C=C3)C(F)(F)F 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)NC3=CC=C(C=C3)C(F)(F)F is 1-[[(3R,9S,10R)-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]-1-methyl-3-[4-(trifluoromethyl)phenyl]urea. It is also related to or classified as lactam  . It is also related to or classified as azamacrocycle .
The molecule COCC1=C(C=C(C(=S)N1)C#N)C(=O)OC COCC1=C(C=C(C(=S)N1)C#N)C(=O)OC is 5-cyano-2-(methoxymethyl)-6-sulfanylidene-1H-pyridine-3-carboxylic acid methyl ester. It is also related to or classified as pyridines , aromatic carboxylic acid .
The molecule C1=CC(=C(C(=C1)Cl)C=CC(=O)NC2=CC=NC=C2)F C1=CC(=C(C(=C1)Cl)C=CC(=O)NC2=CC=NC=C2)F is 3-(2-chloro-6-fluorophenyl)-N-pyridin-4-yl-2-propenamide. It is also related to or classified as secondary carboxamide  . It is also related to or classified as cinnamamides .
The molecule C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2O is a member of the class of chalcones that is trans-chalcone substituted by a hydroxy group at position 2'. It has a role as an anti-inflammatory agent. It is a member of phenols and a member of chalcones. It derives from a trans-chalcone.
The molecule C([C@@H]1[C@H]([C@@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H](O2)OC[C@@H]3[C@H]([C@@H]([C@H](O3)OC[C@@H]4[C@H]([C@@H]([C@H](O4)OC[C@@H]5[C@H]([C@@H]([C@H](O5)O[C@H]6[C@H]([C@@H]([C@H](O[C@@H]6OC[C@@H]7[C@H]([C@@H]([C@@H]([C@H](O7)OC[C@@H]8[C@H]([C@@H]([C@@H](C(O8)O)O)O)O)O[C@@H]9[C@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)CO)O)O)O)O)O)O)O)O)O)O)O)O)O is a branched nonasaccharide consisting of a chain of five D-arabinofuranose and three D-mannopyranose residues linked sequentially alpha(1->5), alpha(1->5), alpha(1->5), alpha(1->5), alpha(1->2), alpha(1->6) and alpha(1->6), with a further D-mannopyranose residue linked alpha(1->2) to the mannose residue proximal to the reducing-end mannose.
The molecule CC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCC(=O)O is a polyunsaturated fatty acid that is hexadecanoic acid with unsaturation at positions 4, 7, 10 and 13. It is found in Daphnia galeata. It has a role as a Daphnia galeata metabolite. It is a polyunsaturated fatty acid, a long-chain fatty acid and a straight-chain fatty acid.
The molecule [H][C@@]1(Cc2ccc(O)cc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@]2([H])CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN)NC(=O)[C@@H](NC1=O)C(C)C [H][C@@]1(Cc2ccc(O)cc2)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@]2([H])CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN)NC(=O)[C@@H](NC1=O)C(C)C is A homodetic cyclic decapeptide consisting of D-Phe, L-Pro, L-Phe, D-Phe, L-Asn, L-Gln, L-Tyr, L-Val, L-Orn, and L-Leu residues coupled in sequence and cyclised head-to-tail. It has the role of antibacterial agent . It has the role of bacterial metabolite .   It is also related to or classified as macrocycle  . It is also related to or classified as homodetic cyclic peptide , peptide antibiotic .
The molecule CO CO is the primary alcohol that is the simplest aliphatic alcohol, comprising a methyl and an alcohol group. It has the role of Mycoplasma genitalium metabolite . It has the role of fuel . It has the role of amphiprotic solvent . It has the role of mouse metabolite . It has the role of Escherichia coli metabolite . It has the role of human metabolite . It is a conjugate acid of methoxide .  It is also related to or classified as primary alcohol  . It is also related to or classified as volatile organic compound , alkyl alcohol , one-carbon compound .
The molecule CC(C)=CCOP(O)(=O)OP(O)(O)=O CC(C)=CCOP(O)(=O)OP(O)(O)=O is A prenol phosphate that is a phosphoantigen comprising the O-pyrophosphate of prenol. It has the role of epitope . It has the role of phosphoantigen . It has the role of mouse metabolite . It has the role of Escherichia coli metabolite . It is a conjugate acid of prenyl diphosphate(3-) . It is also related to or classified as prenol phosphate .
The molecule OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)OC(O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O is A glycosylglucose consisting of two glucose units linked via a beta(1->4) bond. It has the role of plant metabolite . It is also related to or classified as glycosylglucose .
The molecule CC(=O)N[C@@H](CSCC(=O)C1=CC=CC=C1)C(=O)O is the S-phenacyl derivative of N-acetyl-L-cysteine. It is a S-substituted N-acetyl-L-cysteine and an organic sulfide. It derives from an acetophenone.
The molecule C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)I is an organoiodine compound, a primary alpha-hydroxy ketone and a tertiary alpha-hydroxy ketone. It derives from a doxorubicin. It is a conjugate acid of a 4'-deoxy-4'-iododoxorubicinium.