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3,5,8,4'-Tetrahydroxy-7,3'-dimethoxy-6-(3-methylbut-2''-enyl)flavone

PropertiesImage
MNX_IDMNXM27796 Image of MNXM27796
referencechebi:179273
formulaC22H22O8
global charge0
mol weight414.41
InChIKeyLTODEFQVMVALNP-UHFFFAOYSA-N
InChIInChI=1S/C22H22O8/c1-10(2)5-7-12-16(24)15-17(25)18(26)20(30-22(15)19(27)21(12)29-4)11-6-8-13(23)14(9-11)28-3/h5-6,8-9,23-24,26-27H,7H2,1-4H3
SMILESCOC1=C(O)C=CC(C2=C(O)C(=O)C3=C(O2)C(O)=C(OC)C(CC=C(C)C)=C3O)=C1
MNX internals
InChI (mnx)InChI=1/C22H22O8/c1-10(2)5-7-12-16(24)15-17(25)18(26)20(30-22(15)19(27)21(12)29-4)11-6-8-13(23)14(9-11)28-3/h5-6,8-9,23-24,26-27H,7H2,1-4H3 Image of MNXM27796
SMILES (mnx)[CH3:1][C:10]([CH3:2])=[CH:5][CH2:7][C:12]1=[C:16]([OH:24])[C:15]2=[C:22]([C:19]([OH:27])=[C:21]1[O:29][CH3:4])[O:30][C:20]([C:11]1=[CH:9][C:14]([O:28][CH3:3])=[C:13]([OH:23])[CH:8]=[CH:6]1)=[C:18]([OH:26])[C:17]2=[O:25]
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:179273
chebi:179273
LTODEFQVMVALNP-UHFFFAOYSA-N
3,5,8,4'-Tetrahydroxy-7,3'-dimethoxy-6-(3-methylbut-2''-enyl)flavone
3,5,8-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-6-(3-methylbut-2-enyl)chromen-4-one

lipidmaps:LMPK12113230
lipidmapsM:LMPK12113230
LTODEFQVMVALNP-UHFFFAOYSA-N
3,5,8,4'-Tetrahydroxy-7,3'-dimethoxy-6-(3-methylbut-2''-enyl)flavone