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

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curcumin

	Properties	Image
MNX_ID	MNXM1363622
reference	chebi:3962
formula	C₂₁H₂₀O₆
global charge	0
mol weight	368.385
InChIKey	VFLDPWHFBUODDF-FCXRPNKRSA-N
InChI	InChI=1S/C21H20O6/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/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
SMILES	COC1=C(O)C=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC(OC)=C(O)C=C2)=C1

MNX internals

InChI (mnx)	InChI=1/C21H20O6/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/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
SMILES (mnx)	[CH3:1][O:26][C:20]1=[C:18]([OH:24])[CH:9]=[CH:5][C:14](/[CH:3]=[CH:7]/[C:16]([CH2:13][C:17](/[CH:8]=[CH: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)	7
in models (compartimentalized)	3

Similar chemical compounds in external resources
Identifier	Description
CHEBI:3962 chebi:3962 VFLDPWHFBUODDF-FCXRPNKRSA-N	curcumin (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione C.I. 75300 C.I. Natural Yellow 3 Curcumin Diferuloylmethane E 100 Kacha haldi Natural yellow 3 Turmeric yellow
bigg.metabolite:cur biggM:cur VFLDPWHFBUODDF-FCXRPNKRSA-N	Curcumin
hmdb:HMDB0002269 VFLDPWHFBUODDF-FCXRPNKRSA-N	Curcumin (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione 1,7-Bis(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione 1,7-Bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione 1,9-Bis(4-hydroxy-3-methoxyphenyl)-2,7-nonadiene-4,6-dione C.I. 75300 C.I. natural yellow 3 CI natural yellow 3 Cucurmin Curcuma Curcumin I Diferaloylmethane Diferuloylmethane Gelbwurz Golden seal Haidr Halad Haldar Halud Hydrastis Kacha haldi Merita earth Natural yellow 3 Orange root Safran d'inde Souchet Terra merita Tumeric yellow Turmeric Turmeric (>98% curcurmin) Turmeric oleoresin (79%-85% curcumin) Turmeric yellow Yellow ginger Yellow puccoon Yellow root Yellow, turmeric curcumin e 100 yo-Kin
sabiork.compound:12525 sabiorkM:12525 VFLDPWHFBUODDF-FCXRPNKRSA-N	Curcumin Kacha haldi
seed.compound:cpd07329 seedM:cpd07329 VFLDPWHFBUODDF-FCXRPNKRSA-N	Curcumin Kacha haldi curcumin diferuloylmethane
hmdb:HMDB02269 biggM:M_cur seedM:M_cpd07329	secondary/obsolete/fantasy identifier