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desmethylxanthohumol

PropertiesImage
MNX_IDMNXM5716 Image of MNXM5716
referencechebi:80489
formulaC20H20O5
global charge0
mol weight340.375
InChIKeyFUSADYLVRMROPL-UXBLZVDNSA-N
InChIInChI=1S/C20H20O5/c1-12(2)3-9-15-17(23)11-18(24)19(20(15)25)16(22)10-6-13-4-7-14(21)8-5-13/h3-8,10-11,21,23-25H,9H2,1-2H3/b10-6+
SMILESCC(C)=CCC1=C(O)C=C(O)C(C(=O)/C=C/C2=CC=C(O)C=C2)=C1O
MNX internals
InChI (mnx)InChI=1/C20H20O5/c1-12(2)3-9-15-17(23)11-18(24)19(20(15)25)16(22)10-6-13-4-7-14(21)8-5-13/h3-8,10-11,21,23-25H,9H2,1-2H3/b10-6+ Image of MNXM5716
SMILES (mnx)[CH3:1][C:12]([CH3:2])=[CH:3][CH2:9][C:15]1=[C:20]([OH:25])[C:19]([C:16](/[CH:10]=[CH:6]/[C:13]2=[CH:5][CH:8]=[C:14]([OH:21])[CH:7]=[CH:4]2)=[O:22])=[C:18]([OH:24])[CH:11]=[C:17]1[OH:23]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:80489
chebi:80489
FUSADYLVRMROPL-UXBLZVDNSA-N 		desmethylxanthohumol
(2E)-3-(4-hydroxyphenyl)-1-[2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]prop-2-en-1-one

kegg.compound:C16416
keggC:C16416
FUSADYLVRMROPL-UXBLZVDNSA-N 		Desmethylxanthohumol
hmdb:HMDB0030610
FUSADYLVRMROPL-UXBLZVDNSA-N 		Desmethylxanthohumol
(2E)-3-(4-hydroxyphenyl)-1-[2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]prop-2-en-1-one
1-(2,4-Dihydroxy-6-methoxy-3-(3-methyl-2-butenyl)phenyl)-3-(4-hydroxyphenyl)-2-propen-1-one
3-(4-Hydroxyphenyl)-1-[2,4,6-trihydroxy-3-(3-methyl-2-butenyl)phenyl]-2-propen-1-one
Xanthohumol
desmethylxanthohumol

seed.compound:cpd15122
seedM:cpd15122
FUSADYLVRMROPL-UXBLZVDNSA-N 		Desmethylxanthohumol
(2E)-3-(4-hydroxyphenyl)-1-[2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]prop-2-en-1-one
2',4,4',6'-tetrahydroxy-3-prenylchalcone
desmethylxanthohumol

CHEBI:134302
chebi:134302
FUSADYLVRMROPL-UXBLZVDNSA-M 		desmethylxanthohumol(1-)
3,5-dihydroxy-2-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-6-(3-methylbut-2-en-1-yl)phenolate

metacyc.compound:CPD-7120
metacycM:CPD-7120
FUSADYLVRMROPL-UXBLZVDNSA-M 		desmethylxanthohumol
(2E)-3-(4-hydroxyphenyl)-1-[2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]prop-2-en-1-one
2',4,4',6'-tetrahydroxy-3-prenylchalcone

hmdb:HMDB30610
keggC:M_C16416
seedM:M_cpd15122 		secondary/obsolete/fantasy identifier