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CHEBI:203442 - Palmarumycin-CP3a

ChEBI IDCHEBI:203442
ChEBI NamePalmarumycin-CP3a
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H16O5
Net Charge0
Average Mass336.343
Monoisotopic Mass336.09977
SMILESO=C1CC[C@H]2O[C@H]3CC(=O)C1[C@@H]2C31Oc2cccc3cccc(c23)O1
InChIInChI=1S/C20H16O5/c21-11-7-8-15-19-18(11)12(22)9-16(23-15)20(19)24-13-5-1-3-10-4-2-6-14(25-20)17(10)13/h1-6,15-16,18-19H,7-9H2/t15-,16+,18?,19-/m1/s1
InChIKeyXYUNHFVKGAUVKX-IGEHEEHSSA-N
Species of MetaboliteComponentSourceComments
Coniothyrium palmarum (ncbitaxon:300248) - PubMed (25855820)
ChEBI Ontology
Outgoing Relation(s)
Palmarumycin-CP3a (CHEBI:203442) is a naphthalenes (CHEBI:25477)
IUPAC Name 
(1S,8R,9S)-spiro[11-oxatricyclo[6.2.1.04,9]undecane-10,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]-3,5-dione
Manual XrefsDatabases
78437015ChemSpider