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CHEBI:207560 - Palmarumycin CE3

ChEBI IDCHEBI:207560
ChEBI NamePalmarumycin CE3
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18O5
Net Charge0
Average Mass338.359
Monoisotopic Mass338.11542
SMILESO[C@H]1C=C[C@H]2O[C@H]3C[C@H](O)[C@@H]1[C@@H]2C31Oc2cccc3cccc(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/h1-8,11-12,15-16,18-19,21-22H,9H2/t11-,12-,15+,16-,18+,19+/m0/s1
InChIKeyJZDCBWJRBIWSGA-SUJAGIQASA-N
Species of MetaboliteComponentSourceComments
Anteaglonium (ncbitaxon:714361) - PubMed (26539727)
ChEBI Ontology
Outgoing Relation(s)
Palmarumycin CE3 (CHEBI:207560) is a naphthalenes (CHEBI:25477)
IUPAC Name 
(1S,3S,4S,5S,8R,9S)-spiro[11-oxatricyclo[6.2.1.04,9]undec-6-ene-10,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]-3,5-diol
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78442617ChemSpider