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CHEBI:216448 - Austalide Q acid

ChEBI IDCHEBI:216448
ChEBI NameAustalide Q acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32O7
Net Charge0
Average Mass444.524
Monoisotopic Mass444.21480
SMILESC=C(C)[C@@H]1[C@H](O)C[C@]2(C)Oc3c(C)c4c(c(OC)c3C[C@@H]2[C@@]1(C)CCC(=O)O)C(=O)OC4
InChIInChI=1S/C25H32O7/c1-12(2)20-16(26)10-25(5)17(24(20,4)8-7-18(27)28)9-14-21(32-25)13(3)15-11-31-23(29)19(15)22(14)30-6/h16-17,20,26H,1,7-11H2,2-6H3,(H,27,28)/t16-,17-,20-,24-,25+/m1/s1
InChIKeyDDBYFNVMRYVEDG-VNAOELIDSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (24852445)
ChEBI Ontology
Outgoing Relation(s)
Austalide Q acid (CHEBI:216448) is a xanthenes (CHEBI:38835)
IUPAC Name 
3-[(5aS,7R,8S,9S,9aR)-7-hydroxy-11-methoxy-4,5a,9-trimethyl-1-oxo-8-prop-1-en-2-yl-3,6,7,8,9a,10-hexahydro-[2]benzouro[5,6-b]chromen-9-yl]propanoic acid
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