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glycycoumarin

PropertiesImage
MNX_IDMNXM105412 Image of MNXM105412
referencechebi:69087
formulaC21H20O6
global charge0
mol weight368.385
InChIKeyNZYSZZDSYIBYLC-UHFFFAOYSA-N
InChIInChI=1S/C21H20O6/c1-11(2)4-6-14-18(24)10-19-16(20(14)26-3)9-15(21(25)27-19)13-7-5-12(22)8-17(13)23/h4-5,7-10,22-24H,6H2,1-3H3
SMILESCOC1=C2C=C(C3=C(O)C=C(O)C=C3)C(=O)OC2=CC(O)=C1CC=C(C)C
MNX internals
InChI (mnx)InChI=1/C21H20O6/c1-11(2)4-6-14-18(24)10-19-16(20(14)26-3)9-15(21(25)27-19)13-7-5-12(22)8-17(13)23/h4-5,7-10,22-24H,6H2,1-3H3 Image of MNXM105412
SMILES (mnx)[CH3:1][C:11]([CH3:2])=[CH:4][CH2:6][C:14]1=[C:20]([O:26][CH3:3])[C:16]2=[C:19]([CH:10]=[C:18]1[OH:24])[O:27][C:21](=[O:25])[C:15]([C:13]1=[C:17]([OH:23])[CH:8]=[C:12]([OH:22])[CH:5]=[CH:7]1)=[CH:9]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:69087
chebi:69087
NZYSZZDSYIBYLC-UHFFFAOYSA-N 		glycycoumarin
3-(2,4-dihydroxy-phenyl)-7-hydroxy-5-methoxy-6-(3-methyl-but-2-enyl)-1-benzopyran-2-one
3-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-6-(3-methylbut-2-en-1-yl)-2H-chromen-2-one
hmdb:HMDB0038225
NZYSZZDSYIBYLC-UHFFFAOYSA-N 		Glycycoumarin
3-(2,4-Dihydroxy-phenyl)-7-hydroxy-5-methoxy-6-(3-methyl-but-2-enyl)-1-benzopyran-2-one
3-(2,4-Dihydroxyphenyl)-7-hydroxy-5-methoxy-6-(3-methyl-2-butenyl)-2H-1-benzopyran-2-one, 9ci
3-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-6-(3-methylbut-2-en-1-yl)-2H-chromen-2-one
glycycoumarin

lipidmaps:LMPK12160018
lipidmapsM:LMPK12160018
NZYSZZDSYIBYLC-UHFFFAOYSA-N 		Glycycoumarin
3-(2,4-Dihydroxyphenyl)-6-(3-methyl-2-butenyl)-5-methoxy-7-hydroxy-2H-1-benzopyran-2-one

hmdb:HMDB38225 		secondary/obsolete/fantasy identifier