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CHEBI:210868 - Phomopsiketone A

ChEBI IDCHEBI:210868
ChEBI NamePhomopsiketone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O5
Net Charge0
Average Mass242.271
Monoisotopic Mass242.11542
SMILESCCC[C@@H](O)[C@H]1OCC2=C1[C@@H](O)[C@@H](O)CC2=O
InChIInChI=1S/C12H18O5/c1-2-3-7(13)12-10-6(5-17-12)8(14)4-9(15)11(10)16/h7,9,11-13,15-16H,2-5H2,1H3/t7-,9+,11+,12-/m1/s1
InChIKeyFUHFXQFCROOSEZ-NYBSVBNRSA-N
Species of MetaboliteComponentSourceComments
Phomopsis (ncbitaxon:34399) - DOI (10.1016/j.tet.2017.02.019)
ChEBI Ontology
Outgoing Relation(s)
Phomopsiketone A (CHEBI:210868) is a 2-benzofurans (CHEBI:38831)
IUPAC Name 
(1S,6S,7R)-6,7-dihydroxy-1-[(1R)-1-hydroxybutyl]-3,5,6,7-tetrahydro-1H-2-benzouran-4-one
Manual XrefsDatabases
78441708ChemSpider