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CHEBI:199146 - Palmarumycin B8

ChEBI IDCHEBI:199146
ChEBI NamePalmarumycin B8
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H14O7
Net Charge0
Average Mass378.336
Monoisotopic Mass378.07395
SMILESCOC(=O)[C@@]1(O)C(=O)c2c(O)cccc2C12Oc1cccc3cccc(c13)O2
InChIInChI=1S/C21H14O7/c1-26-19(24)20(25)18(23)17-12(7-4-8-13(17)22)21(20)27-14-9-2-5-11-6-3-10-15(28-21)16(11)14/h2-10,22,25H,1H3/t20-/m0/s1
InChIKeyILTAFHSQIBJTEW-FQEVSTJZSA-N
Species of MetaboliteComponentSourceComments
Berkleasmiumspecies (ncbitaxon:1950114) - PubMed (25237727)
ChEBI Ontology
Outgoing Relation(s)
Palmarumycin B8 (CHEBI:199146) is a indanones (CHEBI:24789)
IUPAC Name 
methyl (2'R)-2',4'-dihydroxy-3'-oxospiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,1'-indene]-2'-carboxylate
Manual XrefsDatabases
58121560ChemSpider