CHEBI:218627 - Parmosidone E

ChEBI IDCHEBI:218627
ChEBI NameParmosidone E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H14O8
Net Charge0
Average Mass358.302
Monoisotopic Mass358.06887
SMILESCc1cc(O)c(C=O)c2c1C(=O)Oc1c(C)c(C(=O)O)c(O)c(C)c1O2
InChIInChI=1S/C18H14O8/c1-6-4-10(20)9(5-19)16-11(6)18(24)26-14-7(2)12(17(22)23)13(21)8(3)15(14)25-16/h4-5,20-21H,1-3H3,(H,22,23)
InChIKeyWVMRVEAYOUDGPV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Parmotrema (ncbitaxon:172634) - DOI (10.1016/j.tet.2015.06.107)
ChEBI Ontology
Outgoing Relation(s)
Parmosidone E (CHEBI:218627) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
10-ormyl-2,9-dihydroxy-1,4,7-trimethyl-6-oxobenzo[b][1,4]benzodioxepine-3-carboxylic acid
Manual XrefsDatabases
78436000ChemSpider