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CHEBI:219030 - Austalide P acid

ChEBI IDCHEBI:219030
ChEBI NameAustalide P acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O7
Net Charge0
Average Mass446.540
Monoisotopic Mass446.23045
SMILESCOc1c2c(c(C)c3c1C(=O)OC3)O[C@@]1(C)CC[C@@H](C(C)(C)O)[C@](C)(CCC(=O)O)[C@H]1C2
InChIInChI=1S/C25H34O7/c1-13-15-12-31-22(28)19(15)21(30-6)14-11-17-24(4,9-8-18(26)27)16(23(2,3)29)7-10-25(17,5)32-20(13)14/h16-17,29H,7-12H2,1-6H3,(H,26,27)/t16-,17+,24-,25-/m0/s1
InChIKeyRRCGIBQMOUEGNU-MZXZQTHYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (24852445)
ChEBI Ontology
Outgoing Relation(s)
Austalide P acid (CHEBI:219030) is a xanthenes (CHEBI:38835)
IUPAC Name 
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]propanoic acid
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