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CHEBI:219700 - 3-acetyl-13-deoxyphomenone

ChEBI IDCHEBI:219700
ChEBI Name3-acetyl-13-deoxyphomenone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O4
Net Charge0
Average Mass290.359
Monoisotopic Mass290.15181
SMILESC=C(C)[C@@]12O[C@@H]1[C@@]1(C)C(=CC2=O)CC[C@@H](OC(C)=O)[C@@H]1C
InChIInChI=1S/C17H22O4/c1-9(2)17-14(19)8-12-6-7-13(20-11(4)18)10(3)16(12,5)15(17)21-17/h8,10,13,15H,1,6-7H2,2-5H3/t10-,13+,15+,16+,17-/m0/s1
InChIKeyCAABNZJDJAYFFQ-CRJBSTRQSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (25734623)
ChEBI Ontology
Outgoing Relation(s)
3-acetyl-13-deoxyphomenone (CHEBI:219700) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(1aR,6R,7R,7aR,7bR)-7,7a-dimethyl-2-oxo-1a-prop-1-en-2-yl-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-6-yl] acetate
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27023916ChemSpider