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(6aS,11aS)-4-dimethylallyl-3,6a,9-trihydroxypterocarpan

Properties

Image

Occurences in reactions

MNX_ID

MNXM2162

	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	0

formula

C₂₀H₂₀O₅

charge

mass

340.3698

reference

InChIKey

NLHMQOCIFRDSNU-VQTJNVASSA-N

InChI

InChI=1S/C20H20O5/c1-11(2)3-5-13-16(22)8-6-14-18(13)24-10-20(23)15-7-4-12(21)9-17(15)25-19(14)20/h3-4,6-9,19,21-23H,5,10H2,1-2H3/t19-,20+/m0/s1

SMILES

CC(C)=CCc1c(O)ccc2[C@@H]3Oc4cc(O)ccc4[C@]3(O)COc12

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:50036 chebi:50036	(6aS,11aS)-4-dimethylallyl-3,6a,9-trihydroxypterocarpan (6aS,11aS)-4-(3-methylbut-2-en-1-yl)-6H-[1]benzofuro[3,2-c]chromene-3,6a,9(11aH)-triol 4-Dimethylallyl-(6aS,11aS)-3,6a,9-trihydroxypterocarpan 4-Dimethylallylglycinol
metacyc.compound:CPD-4403 metacycM:CPD-4403	(6alphaS,11alphaS)-4-dimethylallyl-3,6alpha,9-trihydroxypterocarpan (+)-4-dimethylallyl-3,6alpha,9-trihydroxypterocarpan 2-(6alphaS,11alphaS)-dimethylallyl-3,6alpha,9-trihydroxypterocarpan 4-Dimethylallylglycinol
seed.compound:cpd11190 seedM:cpd11190	4-Dimethylallylglycinol (+)-4-dimethylallyl-3,6alpha,9-trihydroxypterocarpan (6alphaS,11alphaS)-4-dimethylallyl-3,6alpha,9-trihydroxypterocarpan 2-(6alphaS,11alphaS)-dimethylallyl-3,6alpha,9-trihydroxypterocarpan 4-Dimethylallyl-(6aS,11aS)-3,6a,9-trihydroxypterocarpan 4-Glyceollidin
kegg.compound:C15510 keggC:C15510	4-Glyceollidin 4-Dimethylallyl-(6aS,11aS)-3,6a,9-trihydroxypterocarpan 4-Dimethylallylglycinol
keggC:M_C15510 seedM:M_cpd11190	secondary/obsolete/fantasy identifier