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CHEBI:199769 - Austalide P acid butyl ester

ChEBI IDCHEBI:199769
ChEBI NameAustalide P acid butyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H42O7
Net Charge0
Average Mass502.648
Monoisotopic Mass502.29305
SMILESCCCCOC(=O)CC[C@]1(C)[C@H]2Cc3c(c(C)c4c(c3OC)C(=O)OC4)O[C@@]2(C)CC[C@H]1C(C)(C)O
InChIInChI=1S/C29H42O7/c1-8-9-14-34-22(30)11-12-28(5)20(27(3,4)32)10-13-29(6)21(28)15-18-24(36-29)17(2)19-16-35-26(31)23(19)25(18)33-7/h20-21,32H,8-16H2,1-7H3/t20-,21+,28-,29-/m0/s1
InChIKeyVZKSJYFCTRVSHA-ABGRUQAOSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (24852445)
ChEBI Ontology
Outgoing Relation(s)
Austalide P acid butyl ester (CHEBI:199769) is a xanthenes (CHEBI:38835)
IUPAC Name 
butyl 3-[(5aS,8R,9S,9aR)-8-(2-hydroxypropan-2-yl)-11-methoxy-4,5a,9-trimethyl-1-oxo-3,6,7,8,9a,10-hexahydro-[2]benzouro[5,6-b]chromen-9-yl]propanoate
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