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CHEBI:214579 - Chenisocoumarin

ChEBI IDCHEBI:214579
ChEBI NameChenisocoumarin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC10H10O5
Net Charge0
Average Mass210.185
Monoisotopic Mass210.05282
SMILESC[C@@H]1OC(=O)c2cc(O)cc(O)c2[C@H]1O
InChIInChI=1S/C10H10O5/c1-4-9(13)8-6(10(14)15-4)2-5(11)3-7(8)12/h2-4,9,11-13H,1H3/t4-,9-/m0/s1
InChIKeyAPTILXZOKTWIKG-IGJIYHIXSA-N
Species of MetaboliteComponentSourceComments
Didymella chenopodii (ncbitaxon:749820) - PubMed (26226110)
ChEBI Ontology
Outgoing Relation(s)
Chenisocoumarin (CHEBI:214579) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3S,4R)-4,5,7-trihydroxy-3-methyl-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
78443399ChemSpider