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CHEBI:32956 - epoxytwinol A

ChEBI IDCHEBI:32956
ChEBI Nameepoxytwinol A
Stars
Last Modified6 August 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC20H20O8
Net Charge0
Average Mass388.372
Monoisotopic Mass388.11582
SMILES[H][C@]12C3=C([C@H](O)[C@H]4O[C@H]4C3=O)[C@]([H])(O[C@]1([H])C)[C@@]1([H])O[C@]([H])(C)[C@]2([H])C2=C1[C@H](O)[C@H]1O[C@H]1C2=O
InChIInChI=1S/C20H20O8/c1-3-5-6-4(2)26-16(10-8(6)12(22)18-20(28-18)14(10)24)15(25-3)9-7(5)11(21)17-19(27-17)13(9)23/h3-6,13-20,23-24H,1-2H3/t3-,4-,5+,6+,13+,14+,15+,16+,17+,18+,19-,20-/m1/s1
InChIKeyISNQEMOAOOBDGE-ZMUZJQFCSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
angiogenesis inhibitor  An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
ChEBI Ontology
Outgoing Relation(s)
epoxytwinol A (CHEBI:32956) has role angiogenesis inhibitor (CHEBI:48422)
epoxytwinol A (CHEBI:32956) has role metabolite (CHEBI:25212)
epoxytwinol A (CHEBI:32956) is a pentaketide (CHEBI:50529)
IUPAC Name 
(1S,2S,4S,5R,7R,10S,11S,14R,16R,17S,20R,21R)-4,17-dihydroxy-20,21-dimethyl-6,15,19,22-tetraoxaheptacyclo[9.7.2.22,10.03,9.05,7.012,18.014,16]docosa-3(9),12(18)-diene-8,13-dione