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

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tetrahydrocurcumin

MNXM22014 is deprecated and here replaced by MNXM1094284
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM1094284
reference	chebi:67263
formula	C₂₁H₂₄O₆
global charge	0
mol weight	372.417
InChIKey	LBTVHXHERHESKG-UHFFFAOYSA-N
InChI	InChI=1S/C21H24O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,24-25H,3-4,7-8,13H2,1-2H3
SMILES	COC1=C(O)C=CC(CCC(=O)CC(=O)CCC2=CC(OC)=C(O)C=C2)=C1

MNX internals

InChI (mnx)	InChI=1/C21H24O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,24-25H,3-4,7-8,13H2,1-2H3
SMILES (mnx)	[CH3:1][O:26][C:20]1=[C:18]([OH:24])[CH:9]=[CH:5][C:14]([CH2:3][CH2:7][C:16]([CH2:13][C:17]([CH2:8][CH2:4][C:15]2=[CH:12][C:21]([O:27][CH3:2])=[C:19]([OH:25])[CH:10]=[CH:6]2)=[O:23])=[O:22])=[CH:11]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	3

Similar chemical compounds in external resources
Identifier	Description
CHEBI:67263 chebi:67263 LBTVHXHERHESKG-UHFFFAOYSA-N	tetrahydrocurcumin 1,7-bis(4-hydroxy-3-methoxyphenyl)-3,5-heptanedione 1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-dione
bigg.metabolite:thcur biggM:thcur LBTVHXHERHESKG-UHFFFAOYSA-N	Tetrahydrocurcumin
hmdb:HMDB0005789 LBTVHXHERHESKG-UHFFFAOYSA-N	Tetrahydrocurcumin 1,7-Bis(4-hydroxy-3-methoxyphenyl)-3,5-heptanedione 1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-dione tetrahydrocurcumin
metacyc.compound:CPD-13315 metacycM:CPD-13315 seed.compound:cpd23829 seedM:cpd23829 LBTVHXHERHESKG-UHFFFAOYSA-N	tetrahydrocurcumin
hmdb:HMDB05789 biggM:M_thcur seedM:M_cpd23829	secondary/obsolete/fantasy identifier