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CHEBI:203648 - 6-O-methylpapyracon B

ChEBI IDCHEBI:203648
ChEBI Name6-O-methylpapyracon B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O5
Net Charge0
Average Mass282.336
Monoisotopic Mass282.14672
SMILESCO[C@]12OC(C)(C)[C@@H]3C[C@@]31[C@@H](O)C/C(=C\[C@@H](C)O)C2=O
InChIInChI=1S/C15H22O5/c1-8(16)5-9-6-11(17)14-7-10(14)13(2,3)20-15(14,19-4)12(9)18/h5,8,10-11,16-17H,6-7H2,1-4H3/b9-5+/t8-,10+,11+,14+,15-/m1/s1
InChIKeyHRGQUZFZALCQPL-VPLLNTPESA-N
Species of MetaboliteComponentSourceComments
Lachnum papyraceum (ncbitaxon:397620) - PubMed (8682721)
ChEBI Ontology
Outgoing Relation(s)
6-O-methylpapyracon B (CHEBI:203648) is a ketal (CHEBI:59777)
IUPAC Name 
(1aR,3aS,5E,7S,7aS)-7-hydroxy-5-[(2R)-2-hydroxypropylidene]-3a-methoxy-2,2-dimethyl-1,1a,6,7-tetrahydrocyclopropa[c][1]benzouran-4-one
Manual XrefsDatabases
78437038ChemSpider