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CHEBI:218722 - Palmarumycin C11

ChEBI IDCHEBI:218722
ChEBI NamePalmarumycin C11
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H14O5
Net Charge0
Average Mass334.327
Monoisotopic Mass334.08412
SMILESOc1cccc2c1[C@@H](O)[C@@H]1O[C@@H]1C21Oc2cccc3cccc(c23)O1
InChIInChI=1S/C20H14O5/c21-12-7-3-6-11-16(12)17(22)18-19(23-18)20(11)24-13-8-1-4-10-5-2-9-14(25-20)15(10)13/h1-9,17-19,21-22H/t17-,18+,19+/m1/s1
InChIKeyHDSAIJZBOBVWLA-QYZOEREBSA-N
Species of MetaboliteComponentSourceComments
Seimatosporium (ncbitaxon:162418) - DOI (10.1002/jlac.199419941108)
ChEBI Ontology
Outgoing Relation(s)
Palmarumycin C11 (CHEBI:218722) is a tetralins (CHEBI:36786)
IUPAC Name 
(1'aS,2'R,7'aS)-spiro[2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,7'-2,7a-dihydro-1aH-naphtho[2,3-b]oxirene]-2',3'-diol
Manual XrefsDatabases
78438164ChemSpider