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Fragransin B2

PropertiesImage
MNX_IDMNXM125766 Image of MNXM125766
referencechebi:175232
formulaC22H28O7
global charge0
mol weight404.459
InChIKeyCAUANPLJFMVCHO-UHFFFAOYSA-N
InChIInChI=1S/C22H28O7/c1-11-12(2)22(14-9-17(27-5)20(24)18(10-14)28-6)29-21(11)13-7-15(25-3)19(23)16(8-13)26-4/h7-12,21-24H,1-6H3
SMILESCOC1=CC(C2OC(C3=CC(OC)=C(O)C(OC)=C3)C(C)C2C)=CC(OC)=C1O
MNX internals
InChI (mnx)InChI=1/C22H28O7/c1-11-12(2)22(14-9-17(27-5)20(24)18(10-14)28-6)29-21(11)13-7-15(25-3)19(23)16(8-13)26-4/h7-12,21-24H,1-6H3/t11?,12?,21?,22? Image of MNXM125766
SMILES (mnx)[CH3:1][CH:11]1[CH:12]([CH3:2])[CH:22]([C:14]2=[CH:9][C:17]([O:27][CH3:5])=[C:20]([OH:24])[C:18]([O:28][CH3:6])=[CH:10]2)[O:29][CH:21]1[C:13]1=[CH:7][C:15]([O:25][CH3:3])=[C:19]([OH:23])[C:16]([O:26][CH3:4])=[CH:8]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

CHEBI:175232
chebi:175232
CAUANPLJFMVCHO-UHFFFAOYSA-N 		Fragransin B2
4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol
hmdb:HMDB0038953
CAUANPLJFMVCHO-UHFFFAOYSA-N 		Fragransin B2
4,4'-Dihydroxy-3,3',5,5'-tetramethoxy-7,7'-epoxylignan
4-[5-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-2,6-dimethoxyphenol

hmdb:HMDB38953 		secondary/obsolete/fantasy identifier