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CHEBI:225852 - 14-acetoxy-22,23-dihydro-15,23-dihydroxyirpexan

Default Structure
ChEBI IDCHEBI:225852
ChEBI Name14-acetoxy-22,23-dihydro-15,23-dihydroxyirpexan
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H68O11
Net Charge0
Average Mass700.951
Monoisotopic Mass700.47616
SMILESCC(=O)OC(CCC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(C)(O)CC/C=C(\C)CCC=C(C)C)C(C)(O)CC/C=C(\C)CCCC(C)(C)O
InChIInChI=1S/C38H68O11/c1-25(2)14-10-15-26(3)17-12-23-38(9,46)31(49-35-34(43)33(42)32(41)29(24-39)48-35)20-19-30(47-28(5)40)37(8,45)22-13-18-27(4)16-11-21-36(6,7)44/h14,17-18,29-35,39,41-46H,10-13,15-16,19-24H2,1-9H3/b26-17+,27-18+/t29-,30?,31?,32-,33+,34+,35+,37?,38?/m1/s1
InChIKeyAQZJZMMXWUPXJT-DOLYVOIWSA-N
Species of MetaboliteComponentSourceComments
Irpex (ncbitaxon:5318) - PubMed (11132959)
ChEBI Ontology
Outgoing Relation(s)
14-acetoxy-22,23-dihydro-15,23-dihydroxyirpexan (CHEBI:225852) is a triterpenoid (CHEBI:36615)
IUPAC Name 
[(6E,18E)-2,10,15-trihydroxy-2,6,10,15,19,23-hexamethyl-14-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytetracosa-6,18,22-trien-11-yl] acetate
Manual XrefsDatabases
8970142ChemSpider