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CHEBI:222057 - Austalide P

ChEBI IDCHEBI:222057
ChEBI NameAustalide P
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SubmitterMetaboLights
DownloadsMolfile
FormulaC26H36O7
Net Charge0
Average Mass460.567
Monoisotopic Mass460.24610
SMILESCOC(=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/C26H36O7/c1-14-16-13-32-23(28)20(16)22(31-7)15-12-18-25(4,10-9-19(27)30-6)17(24(2,3)29)8-11-26(18,5)33-21(14)15/h17-18,29H,8-13H2,1-7H3/t17-,18+,25-,26-/m0/s1
InChIKeyJKFLFNMNDLLEOU-PERMLSPLSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (25855820)
ChEBI Ontology
Outgoing Relation(s)
Austalide P (CHEBI:222057) is a xanthenes (CHEBI:38835)
IUPAC Name 
methyl 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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28185035ChemSpider