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CHEBI:221263 - Palmarumycin CP4

ChEBI IDCHEBI:221263
ChEBI NamePalmarumycin CP4
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H16O5
Net Charge0
Average Mass336.343
Monoisotopic Mass336.09977
SMILESO=C1CC[C@@H](O)[C@@H]2C1=C(O)C=CC21Oc2cccc3cccc(c23)O1
InChIInChI=1S/C20H16O5/c21-12-7-8-14(23)19-18(12)13(22)9-10-20(19)24-15-5-1-3-11-4-2-6-16(25-20)17(11)15/h1-6,9-10,14,19,22-23H,7-8H2/t14-,19-/m1/s1
InChIKeyKHWCPGYSJZWUAY-AUUYWEPGSA-N
Species of MetaboliteComponentSourceComments
Coniothyrium palmarum (ncbitaxon:300248) - PubMed (25855820)
ChEBI Ontology
Outgoing Relation(s)
Palmarumycin CP4 (CHEBI:221263) is a naphthalenes (CHEBI:25477)
IUPAC Name 
(4R,4aS)-4,8-dihydroxyspiro[2,3,4,4a-tetrahydronaphthalene-5,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]-1-one
Manual XrefsDatabases
8218182ChemSpider