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CHEBI:207053 - Palmarumycin B9

ChEBI IDCHEBI:207053
ChEBI NamePalmarumycin B9
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H16O7
Net Charge0
Average Mass392.363
Monoisotopic Mass392.08960
SMILESCC(=O)C[C@@]1(O)C(=O)c2c(O)ccc(O)c2C12Oc1cccc3cccc(c13)O2
InChIInChI=1S/C22H16O7/c1-11(23)10-21(27)20(26)18-13(24)8-9-14(25)19(18)22(21)28-15-6-2-4-12-5-3-7-16(29-22)17(12)15/h2-9,24-25,27H,10H2,1H3/t21-/m1/s1
InChIKeyFNLORMFZWKRPDK-OAQYLSRUSA-N
Species of MetaboliteComponentSourceComments
Berkleasmiumspecies (ncbitaxon:1950114) - PubMed (25237727)
ChEBI Ontology
Outgoing Relation(s)
Palmarumycin B9 (CHEBI:207053) is a indanones (CHEBI:24789)
IUPAC Name 
(2'R)-2',4',7'-trihydroxy-2'-(2-oxopropyl)spiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,3'-indene]-1'-one
Manual XrefsDatabases
58121561ChemSpider