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CHEBI:197865 - Palmarumycin C12

ChEBI IDCHEBI:197865
ChEBI NamePalmarumycin C12
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H14O6
Net Charge0
Average Mass350.326
Monoisotopic Mass350.07904
SMILESOc1ccc(O)c2c1[C@H](O)[C@@H]1O[C@@H]1C21Oc2cccc3cccc(c23)O1
InChIInChI=1S/C20H14O6/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/h1-8,17-19,21-23H/t17-,18-,19-/m0/s1
InChIKeyYUSPOKSZSCPJJV-FHWLQOOXSA-N
Species of MetaboliteComponentSourceComments
Coniothyriumspecies (ncbitaxon:1756115) - DOI (10.1002/jlac.199419941108)
ChEBI Ontology
Outgoing Relation(s)
Palmarumycin C12 (CHEBI:197865) is a tetralins (CHEBI:36786)
IUPAC Name 
(1'aS,7'S,7'aS)-spiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,2'-7,7a-dihydro-1aH-naphtho[2,3-b]oxirene]-3',6',7'-triol
Manual XrefsDatabases
8535945ChemSpider