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3'-Methoxyglabridin

PropertiesImage
MNX_IDMNXM35943 Image of MNXM35943
referencelipidmapsM:LMPK12080018
formulaC21H22O5
global charge0
mol weight354.402
InChIKeySBQBKTSYEKPBJF-UHFFFAOYSA-N
InChIInChI=1S/C21H22O5/c1-21(2)9-8-15-17(26-21)7-4-12-10-13(11-25-19(12)15)14-5-6-16(22)20(24-3)18(14)23/h4-9,13,22-23H,10-11H2,1-3H3
SMILESCOC1=C(O)C(C2COC3=C4C=CC(C)(C)OC4=CC=C3C2)=CC=C1O
MNX internals
InChI (mnx)InChI=1/C21H22O5/c1-21(2)9-8-15-17(26-21)7-4-12-10-13(11-25-19(12)15)14-5-6-16(22)20(24-3)18(14)23/h4-9,13,22-23H,10-11H2,1-3H3/t13? Image of MNXM35943
SMILES (mnx)[CH3:1][C:21]1([CH3:2])[CH:9]=[CH:8][C:15]2=[C:17]([CH:7]=[CH:4][C:12]3=[C:19]2[O:25][CH2:11][CH:13]([C:14]2=[C:18]([OH:23])[C:20]([O:24][CH3:3])=[C:16]([OH:22])[CH:6]=[CH:5]2)[CH2:10]3)[O:26]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:LMPK12080018
lipidmapsM:LMPK12080018
SBQBKTSYEKPBJF-UHFFFAOYSA-N
3'-Methoxyglabridin