Search MNXref
 Feedback

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

PropertiesImage
MNX_IDMNXM1299 Image of MNXM1299
referencechebi:15649
formulaC15H12O5
global charge0
mol weight272.256
InChIKeyQMXOFBXZEKTJIK-LSDHHAIUSA-N
InChIInChI=1S/C15H12O5/c16-8-1-3-10-12(5-8)19-7-15(18)11-4-2-9(17)6-13(11)20-14(10)15/h1-6,14,16-18H,7H2/t14-,15+/m0/s1
SMILESOC1=CC2=C(C=C1)[C@@H]1OC3=C(C=CC(O)=C3)[C@]1(O)CO2
MNX internals
InChI (mnx)InChI=1/C15H12O5/c16-8-1-3-10-12(5-8)19-7-15(18)11-4-2-9(17)6-13(11)20-14(10)15/h1-6,14,16-18H,7H2/t14-,15+/m0/s1 Image of MNXM1299
SMILES (mnx)[CH:1]1=[CH:3][C:10]2=[C:12]([CH:5]=[C:8]1[OH:16])[O:19][CH2:7][C@@:15]1([OH:18])[C:11]3=[CH:4][CH:2]=[C:9]([OH:17])[CH:6]=[C:13]3[O:20][C@@H:14]21
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:15649
chebi:15649
QMXOFBXZEKTJIK-LSDHHAIUSA-N 		(6aS,11aS)-3,6a,9-trihydroxypterocarpan
(-)-Glycinol
(6aS,11aS)-3,6a,9-Trihydroxypterocarpan
(6aS,11aS)-6a,11a-dihydro-6H-benzo[4,5]furo[3,2-c]chromene-3,6a,9-triol
(6aS-cis)-6H-Benzofuro(3,2-c)(1)benzopyran-3,6a,9(11aH)-triol
(6alphaS,11alphaS)-3,6alpha,9-trihydroxypterocarpan
3,6,9-Trihydroxypterocarpan
3,6,9-trihydroxypterocarpan
6H-Benzofuro[3,2-c][1]benzopyran-3,6a,9(11aH)-triol
Glycinol

seed.compound:cpd00927
seedM:cpd00927
QMXOFBXZEKTJIK-LSDHHAIUSA-N 		(-)-Glycinol
(-)-glycinol
(6aS,11aS)-3,6a,9-Trihydroxypterocarpan
(6alphaS,11alphaS)-3,6alpha,9-trihydroxypterocarpan
3,6,9-Trihydroxypterocarpan
3,6,9-trihydroxypterocarpan

lipidmaps:LMPK12070128
lipidmapsM:LMPK12070128
QMXOFBXZEKTJIK-LSDHHAIUSA-N 		(-)-Glycinol
3,6a,9-Trihydroxypterocarpan

metacyc.compound:6AS11AS-36A9-TRIHYDROXYPTEROCARPAN
metacycM:6AS11AS-36A9-TRIHYDROXYPTEROCARPAN
QMXOFBXZEKTJIK-LSDHHAIUSA-N 		(-)-glycinol
(6alphaS,11alphaS)-3,6alpha,9-trihydroxypterocarpan
3,6,9-trihydroxypterocarpan

kegg.compound:C01263
keggC:C01263
QMXOFBXZEKTJIK-LSDHHAIUSA-N 		3,6,9-Trihydroxypterocarpan
(-)-Glycinol
(6aS,11aS)-3,6a,9-Trihydroxypterocarpan

chebi:10935
chebi:18600
chebi:260
chebi:78027
keggC:M_C01263
seedM:M_cpd00927 		secondary/obsolete/fantasy identifier