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CHEBI:210875 - Phomopsiketone B

ChEBI IDCHEBI:210875
ChEBI NamePhomopsiketone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H18O5
Net Charge0
Average Mass242.271
Monoisotopic Mass242.11542
SMILESCCC[C@H]1OCC2=C([C@@H](O)[C@@H](O)CC2=O)[C@@H]1O
InChIInChI=1S/C12H18O5/c1-2-3-9-12(16)10-6(5-17-9)7(13)4-8(14)11(10)15/h8-9,11-12,14-16H,2-5H2,1H3/t8-,9+,11-,12+/m0/s1
InChIKeyPQSAQAWQBGVJOF-BSJXLVFVSA-N
Species of MetaboliteComponentSourceComments
Phomopsis (ncbitaxon:34399) - DOI (10.1016/j.tet.2017.02.019)
Roles Classification
Biological Role:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
ChEBI Ontology
Outgoing Relation(s)
Phomopsiketone B (CHEBI:210875) is a azaphilone (CHEBI:50941)
IUPAC Name 
(3R,4S,5R,6S)-4,5,6-trihydroxy-3-propyl-1,3,4,5,6,7-hexahydroisochromen-8-one
Manual XrefsDatabases
78441709ChemSpider