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CHEBI:227844 - Isocitreoisocoumarinol

ChEBI IDCHEBI:227844
ChEBI NameIsocitreoisocoumarinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O6
Net Charge0
Average Mass280.276
Monoisotopic Mass280.09469
SMILESC[C@@H](O)C[C@H](O)Cc1cc2cc(O)cc(O)c2c(=O)o1
InChIInChI=1S/C14H16O6/c1-7(15)2-9(16)5-11-4-8-3-10(17)6-12(18)13(8)14(19)20-11/h3-4,6-7,9,15-18H,2,5H2,1H3/t7-,9+/m1/s1
InChIKeyCQXZVXNVRFIVCN-APPZFPTMSA-N
Species of MetaboliteComponentSourceComments
Didymella (ncbitaxon:55170) - PubMed (27450949)
ChEBI Ontology
Outgoing Relation(s)
Isocitreoisocoumarinol (CHEBI:227844) is a isocoumarins (CHEBI:38758)
IUPAC Name 
3-[(2S,4R)-2,4-dihydroxypentyl]-6,8-dihydroxyisochromen-1-one
Manual XrefsDatabases
58197322ChemSpider