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CHEBI:212176 - Palmarumycin C9

ChEBI IDCHEBI:212176
ChEBI NamePalmarumycin C9
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H10O7
Net Charge0
Average Mass362.293
Monoisotopic Mass362.04265
SMILESO=C1C=CC(=O)C23OC12C(=O)C1OC1C31Oc2cccc3cccc(c23)O1
InChIInChI=1S/C20H10O7/c21-12-7-8-13(22)19-18(12,27-19)16(23)15-17(24-15)20(19)25-10-5-1-3-9-4-2-6-11(26-20)14(9)10/h1-8,15,17H
InChIKeyKUMQRWQJCVMYRM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Coniothyriumspecies (ncbitaxon:1756115) - DOI (10.1002/jlac.199419941108)
ChEBI Ontology
Outgoing Relation(s)
Palmarumycin C9 (CHEBI:212176) is a naphthalenes (CHEBI:25477)
IUPAC Name 
spiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,6'-4,12-dioxatetracyclo[5.4.1.01,7.03,5]dodec-9-ene]-2',8',11'-trione
Manual XrefsDatabases
8197093ChemSpider