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CHEBI:210263 - Palmarumycin C3

ChEBI IDCHEBI:210263
ChEBI NamePalmarumycin C3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H12O6
Net Charge0
Average Mass348.310
Monoisotopic Mass348.06339
SMILESO=C1c2c(O)ccc(O)c2C2(Oc3cccc4cccc(c34)O2)[C@H]2O[C@@H]12
InChIInChI=1S/C20H12O6/c21-10-7-8-11(22)16-15(10)17(23)18-19(24-18)20(16)25-12-5-1-3-9-4-2-6-13(26-20)14(9)12/h1-8,18-19,21-22H/t18-,19-/m0/s1
InChIKeyBDXBHYOFNNANPN-OALUTQOASA-N
Species of MetaboliteComponentSourceComments
Coniothyriumspecies (ncbitaxon:1756115) - DOI (10.1002/jlac.199419941108)
ChEBI Ontology
Outgoing Relation(s)
Palmarumycin C3 (CHEBI:210263) is a tetralins (CHEBI:36786)
IUPAC Name 
(1aS,7aR)-3,6-dihydroxyspiro[1a,7a-dihydronaphtho[2,3-b]oxirene-2,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]-7-one
Manual XrefsDatabases
8173446ChemSpider