MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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demethoxycurcumin

MNXM3971 is deprecated and here replaced by MNXM1371659
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1371659
reference	chebi:65737
formula	C₂₀H₁₈O₅
global charge	0
mol weight	338.359
InChIKey	HJTVQHVGMGKONQ-LUZURFALSA-N
InChI	InChI=1S/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-12,21,24H,13H2,1H3/b9-4+,10-5+
SMILES	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC=C(O)C=C2)=CC=C1O

MNX internals

InChI (mnx)	InChI=1/C20H18O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-12,21,24H,13H2,1H3/b9-4+,10-5+
SMILES (mnx)	[CH3:1][O:25][C:20]1=[C:19]([OH:24])[CH:11]=[CH:6][C:15](/[CH:5]=[CH:10]/[C:18]([CH2:13][C:17](/[CH:9]=[CH:4]/[C:14]2=[CH:3][CH:8]=[C:16]([OH:21])[CH:7]=[CH:2]2)=[O:22])=[O:23])=[CH:12]1

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
Identifier	Description
CHEBI:65737 chebi:65737 HJTVQHVGMGKONQ-LUZURFALSA-N	demethoxycurcumin (1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione (1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-hepta-1,6-diene-3,5-dione (1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione 4-hydroxycinnamoyl(feroyl)methane 4-hydroxycinnamoyl(feruloyl)methane BHCFM curcuminII feruloyl-p-hydroxycinnnamoylmethane
hmdb:HMDB0033801 HJTVQHVGMGKONQ-LUZURFALSA-N	Demethoxycurcumin (1E,6E)-1-(4-Hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione (1E,6E)-1-(4-Hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-hepta-1,6-diene-3,5-dione (1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione 1-(4-Hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-1,6-heptadiene-3,5-dione, 9ci 4-Hydroxycinnamoyl(feroyl)methane 4-Hydroxycinnamoyl(feruloyl)methane BHCFM Curcumin II CurcuminII Demethoxy-curcumin Feruloyl-p-hydroxycinnnamoylmethane Monodemethoxycurcumin P-Hydroxycinnamoylferuloylmethane
seed.compound:cpd17839 seedM:cpd17839 HJTVQHVGMGKONQ-LUZURFALSA-N	Demethoxycurcumin demethoxycurcumin desmethoxycurcumin monodemethoxycurcumin
hmdb:HMDB33801 seedM:M_cpd17839	secondary/obsolete/fantasy identifier