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CHEBI:224735 - Palmarumycin CP4a

ChEBI IDCHEBI:224735
ChEBI NamePalmarumycin CP4a
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18O5
Net Charge0
Average Mass338.359
Monoisotopic Mass338.11542
SMILESO=C1CC2OC3CC[C@H](O)[C@H]1[C@@H]3C21Oc2cccc3cccc(c23)O1
InChIInChI=1S/C20H18O5/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/h1-6,11,15-16,18-19,21H,7-9H2/t11-,15?,16?,18+,19+/m0/s1
InChIKeyWKFIJZXJEYRNPK-ZNSMMGIKSA-N
Species of MetaboliteComponentSourceComments
Coniothyrium palmarum (ncbitaxon:300248) - DOI (10.1016/s0040-4020(97)00066-5)
ChEBI Ontology
Outgoing Relation(s)
Palmarumycin CP4a (CHEBI:224735) is a naphthalenes (CHEBI:25477)
IUPAC Name 
(4R,5S,9S)-5-hydroxyspiro[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-one
Manual XrefsDatabases
78438295ChemSpider