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licocoumarone

PropertiesImage
MNX_IDMNXM106180 Image of MNXM106180
referencechebi:69098
formulaC20H20O5
global charge0
mol weight340.375
InChIKeyCNPMAFLUEHEXRE-UHFFFAOYSA-N
InChIInChI=1S/C20H20O5/c1-11(2)4-6-14-17(23)10-19-15(20(14)24-3)9-18(25-19)13-7-5-12(21)8-16(13)22/h4-5,7-10,21-23H,6H2,1-3H3
SMILESCOC1=C2C=C(C3=C(O)C=C(O)C=C3)OC2=CC(O)=C1CC=C(C)C
MNX internals
InChI (mnx)InChI=1/C20H20O5/c1-11(2)4-6-14-17(23)10-19-15(20(14)24-3)9-18(25-19)13-7-5-12(21)8-16(13)22/h4-5,7-10,21-23H,6H2,1-3H3 Image of MNXM106180
SMILES (mnx)[CH3:1][C:11]([CH3:2])=[CH:4][CH2:6][C:14]1=[C:20]([O:24][CH3:3])[C:15]2=[C:19]([CH:10]=[C:17]1[OH:23])[O:25][C:18]([C:13]1=[C:16]([OH:22])[CH:8]=[C:12]([OH:21])[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:69098
chebi:69098
CNPMAFLUEHEXRE-UHFFFAOYSA-N 		licocoumarone
2-(2',4'-dihydroxyphenyl)-6-hydroxy-5-isopentenyl-4-methoxybenzofuran
4-[6-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]benzene-1,3-diol
hmdb:HMDB0038755
CNPMAFLUEHEXRE-UHFFFAOYSA-N 		Licocoumarone
2-(2',4'-Dihydroxyphenyl)-6-hydroxy-5-isopentenyl-4-methoxybenzofuran
2-(3,4-Dihydroxyphenyl)-6-hydroxy-4-methoxy-5-prenylbenzofuran
4-[6-Hydroxy-4-methoxy-5-(3-methyl-2-butenyl)-2-benzofuranyl]-1,3-benzenediol, 9ci
4-[6-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]benzene-1,3-diol
Benzyl(2-hydroxyethyl)dimethylammonium hydroxide
Benzyl(2-hydroxyethyl)dimethylammonium, hydroxide
licocoumarone

lipidmaps:LMPK12160045
lipidmapsM:LMPK12160045
CNPMAFLUEHEXRE-UHFFFAOYSA-N 		Licocoumarone
2-(2,4-Dihydroxyphenyl)-4-methoxy-5-(3-methyl-2-butenyl)-6-hydroxybenzofuran

hmdb:HMDB38755 		secondary/obsolete/fantasy identifier