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CHEBI:220029 - Phomopsidone A

ChEBI IDCHEBI:220029
ChEBI NamePhomopsidone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H12O7
Net Charge0
Average Mass340.287
Monoisotopic Mass340.05830
SMILESCc1cc2c(c3c1C(=O)Oc1c(C)c4c(c(O)c1O3)C(=O)OC4)CO2
InChIInChI=1S/C18H12O7/c1-6-3-10-9(5-22-10)15-11(6)18(21)25-14-7(2)8-4-23-17(20)12(8)13(19)16(14)24-15/h3,19H,4-5H2,1-2H3
InChIKeyHIBCVFMAAXAQGB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phomopsisspecies A123 (ncbitaxon:559193) - PubMed (24821321)
ChEBI Ontology
Outgoing Relation(s)
Phomopsidone A (CHEBI:220029) is a aromatic ether (CHEBI:35618)
IUPAC Name 
20-hydroxy-9,14-dimethyl-2,6,12,17-tetraoxapentacyclo[11.7.0.03,10.04,7.015,19]icosa-1(13),3(10),4(7),8,14,19-hexaene-11,18-dione
Manual XrefsDatabases
32674641ChemSpider