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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 |
#reac | |
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Distinct reactions in my sandbox | 0 |
Distinct generic reactions in MNXref | 8 |
Distinct compatimentalized reactions in models | 0 |
Identifier | Description |
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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 |
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 |
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 |
keggC:C15510 | 4-Glyceollidin 4-Dimethylallyl-(6aS,11aS)-3,6a,9-trihydroxypterocarpan 4-Dimethylallylglycinol |
keggC:M_C15510 seedM:M_cpd11190 | secondary/obsolete/fantasy identifier |