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paeoniflorigenone

Properties

Image

Occurences in reactions

MNX_ID

MNXM107523

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₇H₁₈O₆

charge

mass

318.11034

reference

InChIKey

BANPEMKDTXIFRE-LQPBRMSDSA-N

InChI

InChI=1S/C17H18O6/c1-16-8-13(18)11-7-17(16,20)23-15(22-16)12(11)9-21-14(19)10-5-3-2-4-6-10/h2-6,11-12,15,20H,7-9H2,1H3/t11-,12-,15+,16+,17-/m1/s1

SMILES

C[C@]12CC(=O)[C@@H]3C[C@@]1(O)O[C@H](O2)[C@@H]3COC(=O)c1ccccc1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:132788 chebi:132788	paeoniflorigenone (+)-Paeoniflorigenone [(2S,3aR,5R,7aS,8S)-3a-hydroxy-7a-methyl-6-oxohexahydro-2H-2,5-methano-1,3-benzodioxol-8-yl]methyl benzoate
seed.compound:cpd19242 seedM:cpd19242 kegg.compound:C17453 keggC:C17453	Paeoniflorigenone
chebi:69582 keggC:M_C17453 seedM:M_cpd19242	secondary/obsolete/fantasy identifier