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(6aS,11aS)-2-dimethylallyl-3,6a,9-trihydroxypterocarpan

PropertiesImage
MNX_IDMNXM1510 Image of MNXM1510
referencechebi:50118
formulaC20H20O5
global charge0
mol weight340.375
InChIKeyTUXXPRXOVFCNPC-VQTJNVASSA-N
InChIInChI=1S/C20H20O5/c1-11(2)3-4-12-7-14-17(9-16(12)22)24-10-20(23)15-6-5-13(21)8-18(15)25-19(14)20/h3,5-9,19,21-23H,4,10H2,1-2H3/t19-,20+/m0/s1
SMILESCC(C)=CCC1=CC2=C(C=C1O)OC[C@@]1(O)C3=C(C=C(O)C=C3)O[C@@H]21
MNX internals
InChI (mnx)InChI=1/C20H20O5/c1-11(2)3-4-12-7-14-17(9-16(12)22)24-10-20(23)15-6-5-13(21)8-18(15)25-19(14)20/h3,5-9,19,21-23H,4,10H2,1-2H3/t19-,20+/m0/s1 Image of MNXM1510
SMILES (mnx)[CH3:1][C:11]([CH3:2])=[CH:3][CH2:4][C:12]1=[C:16]([OH:22])[CH:9]=[C:17]2[C:14](=[CH:7]1)[C@H:19]1[C@@:20]([OH:23])([CH2:10][O:24]2)[C:15]2=[C:18]([CH:8]=[C:13]([OH:21])[CH:5]=[CH:6]2)[O:25]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)14
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:50118
chebi:50118
TUXXPRXOVFCNPC-VQTJNVASSA-N 		(6aS,11aS)-2-dimethylallyl-3,6a,9-trihydroxypterocarpan
(+)-2-dimethylallyl-3,6a,9-trihydroxypterocarpan
(6aS,11aS)-2-(3-methylbut-2-en-1-yl)-6H-[1]benzofuro[3,2-c]chromene-3,6a,9(11aH)-triol
2-Dimethylallyl-(6aS,11aS)-3,6a,9-trihydroxypterocarpan
2-dimethylallylglycinol
Glyceocarpin
pterocarpan glyceocarpin

lipidmaps:LMPK12070004
lipidmapsM:LMPK12070004
TUXXPRXOVFCNPC-VQTJNVASSA-N 		(6aS,11aS)-2-dimethylallyl-3,6a,9-trihydroxypterocarpan
(6aS,11aS)-2-(3-methylbut-2-en-1-yl)-6H-[1]benzofuro[3,2-c]chromene-3,6a,9(11aH)-triol
2-Dimethylallyl-(6aS,11aS)-3,6a,9-trihydroxypterocarpan
2-dimethylallylglycinol
Glyceocarpin

metacyc.compound:CPD-4404
metacycM:CPD-4404
TUXXPRXOVFCNPC-VQTJNVASSA-N 		(6alphaS,11alphaS)-3,6a,9-trihydroxy-2-prenylpterocarpan
(+)-2-dimethylallyl-3,6a,9-trihydroxypterocarpan
(6alphaS,11alphaS)-2-dimethylallyl-3,6alpha,9-trihydroxypterocarpan
2-(6alphaS,11alphaS)-dimethylallyl-3,6alpha,9-trihydroxypterocarpan
2-dimethylallyl-(6aS,11aS)-3,6a,9-trihydroxypterocarpan
Glyceocarpin

seed.compound:cpd11189
seedM:cpd11189
TUXXPRXOVFCNPC-VQTJNVASSA-N 		Glyceocarpin
(+)-2-dimethylallyl-3,6a,9-trihydroxypterocarpan
(6alphaS,11alphaS)-2-dimethylallyl-3,6alpha,9-trihydroxypterocarpan
2-Dimethylallyl-(6aS,11aS)-3,6a,9-trihydroxypterocarpan
2-dimethylallyl-(6aS,11aS)-3,6a,9-trihydroxypterocarpan

kegg.compound:C15509
keggC:C15509
TUXXPRXOVFCNPC-VQTJNVASSA-N 		Glyceocarpin
(6aS,11aS)-3,6a,9-Trihydroxy-2-prenylpterocarpan
2-Dimethylallyl-(6aS,11aS)-3,6a,9-trihydroxypterocarpan

keggC:M_C15509
seedM:M_cpd11189 		secondary/obsolete/fantasy identifier