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

PropertiesImage
MNX_IDMNXM2162 Image of MNXM2162
referencechebi:50036
formulaC20H20O5
global charge0
mol weight340.375
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
SMILESCC(C)=CCC1=C2OC[C@@]3(O)C4=C(C=C(O)C=C4)O[C@H]3C2=CC=C1O
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM2162
SMILES (mnx)[CH3:1][C:11]([CH3:2])=[CH:3][CH2:5][C:13]1=[C:18]2[C:14](=[CH:6][CH:8]=[C:16]1[OH:22])[C@H:19]1[C@@:20]([OH:23])([CH2:10][O:24]2)[C:15]2=[C:17]([CH:9]=[C:12]([OH:21])[CH:4]=[CH:7]2)[O:25]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:50036
chebi:50036
NLHMQOCIFRDSNU-VQTJNVASSA-N 		(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
NLHMQOCIFRDSNU-VQTJNVASSA-N 		(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
NLHMQOCIFRDSNU-VQTJNVASSA-N 		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
NLHMQOCIFRDSNU-VQTJNVASSA-N 		4-Glyceollidin
(6aS,11aS)-3,6a,9-Trihydroxy-4-prenylpterocarpan
4-Dimethylallyl-(6aS,11aS)-3,6a,9-trihydroxypterocarpan
4-Dimethylallylglycinol

keggC:M_C15510
seedM:M_cpd11190 		secondary/obsolete/fantasy identifier