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CHEBI:226442 - Palmarumycin CP5

ChEBI IDCHEBI:226442
ChEBI NamePalmarumycin CP5
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H18O6
Net Charge0
Average Mass354.358
Monoisotopic Mass354.11034
SMILESO=C1CC2OC3(O)CC[C@@H](O)[C@@H]1[C@H]3C21Oc2cccc3cccc(c23)O1
InChIInChI=1S/C20H18O6/c21-11-7-8-19(23)18-17(11)12(22)9-15(26-19)20(18)24-13-5-1-3-10-4-2-6-14(25-20)16(10)13/h1-6,11,15,17-18,21,23H,7-9H2/t11-,15?,17+,18-,19?/m1/s1
InChIKeyDPEHGHDGMHDDEP-ABMVIXFTSA-N
Species of MetaboliteComponentSourceComments
Coniothyrium palmarum (ncbitaxon:300248) - DOI (10.1016/s0040-4020(97)00066-5)
ChEBI Ontology
Outgoing Relation(s)
Palmarumycin CP5 (CHEBI:226442) is a naphthalenes (CHEBI:25477)
IUPAC Name 
(4S,5R,9R)-5,8-dihydroxyspiro[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
78438348ChemSpider