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3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-7-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one

PropertiesImage
MNX_IDMNXM27672 Image of MNXM27672
referencechebi:179274
formulaC22H22O8
global charge0
mol weight414.41
InChIKeyPCGBPGFXCMADGM-UHFFFAOYSA-N
InChIInChI=1S/C22H22O8/c1-11(2)7-8-29-16-10-14(24)17-18(25)19(26)20(30-22(17)21(16)28-4)12-5-6-13(23)15(9-12)27-3/h5-7,9-10,23-24,26H,8H2,1-4H3
SMILESCOC1=C(O)C=CC(C2=C(O)C(=O)C3=C(O2)C(OC)=C(OCC=C(C)C)C=C3O)=C1
MNX internals
InChI (mnx)InChI=1/C22H22O8/c1-11(2)7-8-29-16-10-14(24)17-18(25)19(26)20(30-22(17)21(16)28-4)12-5-6-13(23)15(9-12)27-3/h5-7,9-10,23-24,26H,8H2,1-4H3 Image of MNXM27672
SMILES (mnx)[CH3:1][C:11]([CH3:2])=[CH:7][CH2:8][O:29][C:16]1=[C:21]([O:28][CH3:4])[C:22]2=[C:17]([C:14]([OH:24])=[CH:10]1)[C:18](=[O:25])[C:19]([OH:26])=[C:20]([C:12]1=[CH:9][C:15]([O:27][CH3:3])=[C:13]([OH:23])[CH:6]=[CH:5]1)[O:30]2
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:179274
chebi:179274
PCGBPGFXCMADGM-UHFFFAOYSA-N
3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-7-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one
3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-7-(3-methylbut-2-enoxy)chromen-4-one

lipidmaps:LMPK12113229
lipidmapsM:LMPK12113229
PCGBPGFXCMADGM-UHFFFAOYSA-N
3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-7-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one