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11-Methylgerberinol

PropertiesImage
MNX_IDMNXM116117 Image of MNXM116117
referencechebi:172609
formulaC22H18O6
global charge0
mol weight378.38
InChIKeyDVOGDIBWOOVRGI-UHFFFAOYSA-N
InChIInChI=1S/C22H18O6/c1-10-6-4-8-13-15(10)19(23)17(21(25)27-13)12(3)18-20(24)16-11(2)7-5-9-14(16)28-22(18)26/h4-9,12,23-24H,1-3H3
SMILESCC1=CC=CC2=C1C(O)=C(C(C)C1=C(O)C3=C(C=CC=C3C)OC1=O)C(=O)O2
MNX internals
InChI (mnx)InChI=1/C22H18O6/c1-10-6-4-8-13-15(10)19(23)17(21(25)27-13)12(3)18-20(24)16-11(2)7-5-9-14(16)28-22(18)26/h4-9,12,23-24H,1-3H3 Image of MNXM116117
SMILES (mnx)[CH3:1][C:10]1=[C:15]2[C:13](=[CH:8][CH:4]=[CH:6]1)[O:27][C:21](=[O:25])[C:17]([CH:12]([CH3:3])[C:18]1=[C:20]([OH:24])[C:16]3=[C:11]([CH3:2])[CH:7]=[CH:5][CH:9]=[C:14]3[O:28][C:22]1=[O:26])=[C:19]2[OH:23]
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:172609
chebi:172609
DVOGDIBWOOVRGI-UHFFFAOYSA-N 		11-Methylgerberinol
4-hydroxy-3-[1-(4-hydroxy-5-methyl-2-oxochromen-3-yl)ethyl]-5-methylchromen-2-one
hmdb:HMDB0041441
DVOGDIBWOOVRGI-UHFFFAOYSA-N 		11-Methylgerberinol
3,3'-Ethylidenebis(4-hydroxy-5-methyl-2H-1-benzopyran-2-one)
4-hydroxy-3-[1-(4-hydroxy-5-methyl-2-oxo-2H-chromen-3-yl)ethyl]-5-methyl-2H-chromen-2-one
4-hydroxy-3-[1-(4-hydroxy-5-methyl-2-oxochromen-3-yl)ethyl]-5-methylchromen-2-one

hmdb:HMDB41441 		secondary/obsolete/fantasy identifier