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CHEBI:213423 - Parmosidone H

Default Structure
ChEBI IDCHEBI:213423
ChEBI NameParmosidone H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H28O10
Net Charge0
Average Mass548.544
Monoisotopic Mass548.16825
SMILESCOC(=O)c1c(C)c(Cc2c(O)cc(C)c3c2OC(=O)c2c(C)cc(O)c(C=CC(C)=O)c2O3)c(O)c(C)c1O
InChIInChI=1S/C30H28O10/c1-12-9-20(32)17(8-7-14(3)31)27-22(12)30(37)40-28-19(21(33)10-13(2)26(28)39-27)11-18-15(4)23(29(36)38-6)25(35)16(5)24(18)34/h7-10,32-35H,11H2,1-6H3
InChIKeyJWTBQZHPEAMXLJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Parmotrema (ncbitaxon:172634) - PubMed (32483775)
ChEBI Ontology
Outgoing Relation(s)
Parmosidone H (CHEBI:213423) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
methyl 5-[[3,9-dihydroxy-1,7-dimethyl-6-oxo-10-(3-oxobut-1-enyl)benzo[b][1,4]benzodioxepin-4-yl]methyl]-2,4-dihydroxy-3,6-dimethylbenzoate