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CHEBI:204115 - Palmarumycin P2

ChEBI IDCHEBI:204115
ChEBI NamePalmarumycin P2
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H16O5
Net Charge0
Average Mass336.343
Monoisotopic Mass336.09977
SMILESO=C1C[C@H]2O[C@H]3C=C[C@H](O)[C@H]1[C@@H]3C21Oc2cccc3cccc(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/h1-8,11,15-16,18-19,21H,9H2/t11-,15-,16+,18+,19+/m0/s1
InChIKeyITJMKILNODXZIW-CSPUVKMESA-N
ChEBI Ontology
Outgoing Relation(s)
Palmarumycin P2 (CHEBI:204115) is a naphthalenes (CHEBI:25477)
IUPAC Name 
(1R,4R,5S,8S,9S)-5-hydroxyspiro[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-one
Manual XrefsDatabases
78437096ChemSpider