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CHEBI:209842 - Austalide Y

ChEBI IDCHEBI:209842
ChEBI NameAustalide Y
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H34O7
Net Charge0
Average Mass446.540
Monoisotopic Mass446.23045
SMILESCOC(=O)CC[C@]1(C)[C@H]2Cc3c(O)c4c(c(C)c3O[C@@]2(C)CC[C@H]1C(C)(C)O)COC4=O
InChIInChI=1S/C25H34O7/c1-13-15-12-31-22(28)19(15)20(27)14-11-17-24(4,9-8-18(26)30-6)16(23(2,3)29)7-10-25(17,5)32-21(13)14/h16-17,27,29H,7-12H2,1-6H3/t16-,17+,24-,25-/m0/s1
InChIKeyNSBHLUAVXCZWHM-MZXZQTHYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (32188160)
ChEBI Ontology
Outgoing Relation(s)
Austalide Y (CHEBI:209842) is a xanthenes (CHEBI:38835)
IUPAC Name 
methyl 3-[(5aS,8R,9S,9aR)-11-hydroxy-8-(2-hydroxypropan-2-yl)-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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