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Bryaflavan

PropertiesImage
MNX_IDMNXM44860 Image of MNXM44860
referencelipidmapsM:LMPK12080038
formulaC17H18O6
global charge0
mol weight318.325
InChIKeyUGMLMXOTFZEATD-UHFFFAOYSA-N
InChIInChI=1S/C17H18O6/c1-21-14-4-3-11(17(22-2)16(14)20)10-5-9-6-12(18)13(19)7-15(9)23-8-10/h3-4,6-7,10,18-20H,5,8H2,1-2H3
SMILESCOC1=CC=C(C2COC3=CC(O)=C(O)C=C3C2)C(OC)=C1O
MNX internals
InChI (mnx)InChI=1/C17H18O6/c1-21-14-4-3-11(17(22-2)16(14)20)10-5-9-6-12(18)13(19)7-15(9)23-8-10/h3-4,6-7,10,18-20H,5,8H2,1-2H3/t10? Image of MNXM44860
SMILES (mnx)[CH3:1][O:21][C:14]1=[C:16]([OH:20])[C:17]([O:22][CH3:2])=[C:11]([CH:10]2[CH2:5][C:9]3=[CH:6][C:12]([OH:18])=[C:13]([OH:19])[CH:7]=[C:15]3[O:23][CH2:8]2)[CH:3]=[CH:4]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

lipidmaps:LMPK12080038
lipidmapsM:LMPK12080038
UGMLMXOTFZEATD-UHFFFAOYSA-N 		Bryaflavan
6,7,3'-Trihydroxy-2',4'-dimethoxyisoflavan