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CHEBI:206900 - Phaseolinone

ChEBI IDCHEBI:206900
ChEBI NamePhaseolinone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O5
Net Charge0
Average Mass280.320
Monoisotopic Mass280.13107
SMILESC[C@H]1[C@H](O)CCC2=CC(=O)[C@]3(C4(CO)CO4)O[C@@H]3[C@@]21C
InChIInChI=1S/C15H20O5/c1-8-10(17)4-3-9-5-11(18)15(14(6-16)7-19-14)12(20-15)13(8,9)2/h5,8,10,12,16-17H,3-4,6-7H2,1-2H3/t8-,10+,12+,13+,14?,15-/m0/s1
InChIKeyDDKJQSAECJSUNP-QZQBWGGESA-N
Species of MetaboliteComponentSourceComments
Macrophomina phaseolina (ncbitaxon:35725) - DOI (10.1016/0040-4039(82)80157-3)
ChEBI Ontology
Outgoing Relation(s)
Phaseolinone (CHEBI:206900) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1aS,6R,7R,7aR,7bR)-6-hydroxy-1a-[2-(hydroxymethyl)oxiran-2-yl]-7,7a-dimethyl-5,6,7,7b-tetrahydro-4H-naphtho[1,2-b]oxiren-2-one
Manual XrefsDatabases
2299349ChemSpider