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CHEBI:213432 - Parmosidone J

ChEBI IDCHEBI:213432
ChEBI NameParmosidone J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H20O9
Net Charge0
Average Mass428.393
Monoisotopic Mass428.11073
SMILESCOCc1c(O)c(C(=O)O)c(C)c2c1Oc1c3c(cc(C)c1C(=O)O2)O[C@](C)(O)C=C3
InChIInChI=1S/C22H20O9/c1-9-7-13-11(5-6-22(3,27)31-13)18-14(9)21(26)30-17-10(2)15(20(24)25)16(23)12(8-28-4)19(17)29-18/h5-7,23,27H,8H2,1-4H3,(H,24,25)/t22-/m0/s1
InChIKeyRRPLBPOPWMZJHL-QFIPXVFZSA-N
Species of MetaboliteComponentSourceComments
Parmotrema (ncbitaxon:172634) - PubMed (32483775)
ChEBI Ontology
Outgoing Relation(s)
Parmosidone J (CHEBI:213432) is a aromatic ether (CHEBI:35618)
IUPAC Name 
3,11-dihydroxy-12-(methoxymethyl)-3,6,9-trimethyl-7-oxochromeno[6,5-c][1,5]benzodioxepine-10-carboxylic acid