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scopolin

PropertiesImageOccurences in reactions
MNX_IDMNXM4822Image of MNXM4822
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
formulaC16H18O9
charge0
mass354.09508
referencechebi:16065
InChIKeySGTCGCCQZOUMJJ-YMILTQATSA-N
InChIInChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1
SMILESCOc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Parent-child relations graph
 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:16065
chebi:16065 		scopolin
6-methoxy-2-oxo-2H-chromen-7-yl beta-D-glucopyranoside
7-(beta-D-glucopyranosoyloxy)-6-methoxy-2H-1-benzopyran-2-one
Scopolin
kegg.compound:C01527
keggC:C01527 		Scopolin
seed.compound:cpd01077
seedM:cpd01077 		Scopolin
scopolin
metacyc.compound:SCOPOLIN
metacycM:SCOPOLIN 		scopolin
chebi:15068
chebi:26612
chebi:9058
keggC:M_C01527
seedM:M_cpd01077 		secondary/obsolete/fantasy identifier