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CHEBI:213983 - Phomopsone A

ChEBI IDCHEBI:213983
ChEBI NamePhomopsone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O5
Net Charge0
Average Mass306.358
Monoisotopic Mass306.14672
SMILESCC[C@H](C)[C@@H](O)C(=O)[C@H]1C2=COC(C)=CC2=CC(=O)[C@@]1(C)O
InChIInChI=1S/C17H22O5/c1-5-9(2)15(19)16(20)14-12-8-22-10(3)6-11(12)7-13(18)17(14,4)21/h6-9,14-15,19,21H,5H2,1-4H3/t9-,14+,15+,17+/m0/s1
InChIKeyNCIKUWUARZFWEF-WFQKOJPZSA-N
Species of MetaboliteComponentSourceComments
Phomopsis (ncbitaxon:34399) - PubMed (32222428)
ChEBI Ontology
Outgoing Relation(s)
Phomopsone A (CHEBI:213983) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(7S,8S)-7-hydroxy-8-[(2R,3S)-2-hydroxy-3-methylpentanoyl]-3,7-dimethyl-8H-isochromen-6-one