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

PropertiesImageOccurences in reactions
MNX_IDMNXM2162Image of MNXM2162
#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 1
formulaC20H20O5
charge0
mass340.375
referencechebi:50036
InChIKeyNLHMQOCIFRDSNU-VQTJNVASSA-N
InChIInChI=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[CH3:1][C:11]([CH3:2])=[CH:3][CH2:5][c:13]1[c:16]([OH:22])[cH:8][cH:6][c:14]2[c:18]1[O:24][CH2:10][C@@:20]1([OH:23])[c:15]3[cH:7][cH:4][c:12]([OH:21])[cH:9][c:17]3[O:25][C@@H:19]21
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Similar chemical compounds in external resources
IdentifierDescription
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)-3,6a,9-trihydroxy-4-prenylpterocarpan
(+)-4-dimethylallyl-3,6alpha,9-trihydroxypterocarpan
(6alphaS,11alphaS)-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
lipidmaps:LMPK12070116
lipidmapsM:LMPK12070116 		Glyceollidin I
3,6a,9-Trihydroxy-4-prenylpterocarpan
CHEBI:174569
chebi:174569 		Glyceollidin I
4-(3-methylbut-2-enyl)-6,11a-dihydro-[1]benzouro[3,2-c]chromene-3,6a,9-triol
hmdb:HMDB0034026 Glyceollidin I
6-(3-methylbut-2-en-1-yl)-8,17-dioxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁶]heptadeca-2(7),3,5,11(16),12,14-hexaene-5,10,14-triol
hmdb:HMDB34026
keggC:M_C15510
seedM:M_cpd11190 		secondary/obsolete/fantasy identifier