Search MNXref
**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**
 Feedback

(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)=CCc1c(O)ccc2c1OC[C@@]1(O)c3ccc(O)cc3O[C@@H]21
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)[cH:1]1[cH:2][c:4]2[c:3]([c:20]([O:21]/[O:22]=[O:24](\[OH:23])[OH:25])[c:6]1[CH3:7])[CH2:8][CH2:5][C@@:14]1([CH3:15])[c:10]3[c:9]([cH:12][c:18]([CH3:19])[cH:13][cH:11]3)[CH2:17][C@@H:16]21
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