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CHEBI:172489 - Coriandrone E

ChEBI IDCHEBI:172489
ChEBI NameCoriandrone E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H12O5
Net Charge0
Average Mass248.234
Monoisotopic Mass248.06847
SMILESCOc1c2c(cc3occc13)[C@@H](O)[C@H](C)OC2=O
InChIInChI=1S/C13H12O5/c1-6-11(14)8-5-9-7(3-4-17-9)12(16-2)10(8)13(15)18-6/h3-6,11,14H,1-2H3/t6-,11-/m0/s1
InChIKeyFDLXWTAXBWPMFB-KGFZYKRKSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Coriandrone E (CHEBI:172489) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(7S,8R)-8-hydroxy-4-methoxy-7-methyl-7,8-dihydrouro[2,3-g]isochromen-5-one