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

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oleuropein

MNXM65477 is deprecated and here replaced by MNXM726518
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM726518
reference	chebi:7747
formula	C₂₅H₃₂O₁₃
global charge	0
mol weight	540.518
InChIKey	RFWGABANNQMHMZ-ZCHJGGQASA-N
InChI	InChI=1S/C25H32O13/c1-3-13-14(9-19(29)35-7-6-12-4-5-16(27)17(28)8-12)15(23(33)34-2)11-36-24(13)38-25-22(32)21(31)20(30)18(10-26)37-25/h3-5,8,11,14,18,20-22,24-28,30-32H,6-7,9-10H2,1-2H3/b13-3+/t14-,18+,20+,21-,22+,24-,25-/m0/s1
SMILES	C/C=C1/[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)OCCC1=CC(O)=C(O)C=C1

MNX internals

InChI (mnx)	InChI=1/C25H32O13/c1-3-13-14(9-19(29)35-7-6-12-4-5-16(27)17(28)8-12)15(23(33)34-2)11-36-24(13)38-25-22(32)21(31)20(30)18(10-26)37-25/h3-5,8,11,14,18,20-22,24-28,30-32H,6-7,9-10H2,1-2H3/b13-3+/t14-,18+,20+,21-,22+,24-,25-/m0/s1
SMILES (mnx)	[CH3:1]/[CH:3]=[C:13]1\[C@H:14]([CH2:9][C:19](=[O:29])[O:35][CH2:7][CH2:6][C:12]2=[CH:8][C:17]([OH:28])=[C:16]([OH:27])[CH:5]=[CH:4]2)[C:15]([C:23](=[O:33])[O:34][CH3:2])=[CH:11][O:36][C@H:24]1[O:38][C@H:25]1[C@H:22]([OH:32])[C@@H:21]([OH:31])[C@H:20]([OH:30])[C@@H:18]([CH2:10][OH:26])[O:37]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:7747 chebi:7747 RFWGABANNQMHMZ-ZCHJGGQASA-N	oleuropein 2-(3,4-dihydroxyphenyl)ethyl (2S-(2alpha,3E,4beta))-3-ethylidene-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetate [2S-(2alpha,3E,4beta)]-3-ethylidene-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetic acid 2-(3,4-dihydroxyphenyl)ethyl ester methyl (2S,3E,4S)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-ethylidene-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-2H-pyran-5-carboxylate
seed.compound:cpd06686 seedM:cpd06686 kegg.compound:C09794 keggC:C09794 RFWGABANNQMHMZ-ZCHJGGQASA-N	Oleuropein
hmdb:HMDB0035872 RFWGABANNQMHMZ-ZCHJGGQASA-N	Oleuropein 2-(3,4-Dihydroxyphenyl)ethyl (2S-(2a,3E,4b))-3-ethylidene-2-(b-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetate 2-(3,4-Dihydroxyphenyl)ethyl (2S-(2a,3E,4b))-3-ethylidene-2-(b-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetic acid 2-(3,4-Dihydroxyphenyl)ethyl (2S-(2alpha,3E,4beta))-3-ethylidene-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetate 2-(3,4-Dihydroxyphenyl)ethyl (2S-(2alpha,3E,4beta))-3-ethylidene-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetic acid Methyl (2S,3E,4S)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-ethylidene-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylic acid Oleoeuropein Oleoeuropeine Oleuropeine Opiace [2S-(2a,3E,4b)]-3-Ethylidene-2-(b-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetate 2-(3,4-dihydroxyphenyl)ethyl ester [2S-(2a,3E,4b)]-3-Ethylidene-2-(b-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetic acid 2-(3,4-dihydroxyphenyl)ethyl ester [2S-(2alpha,3E,4beta)]-3-Ethylidene-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetate 2-(3,4-dihydroxyphenyl)ethyl ester [2S-(2alpha,3E,4beta)]-3-Ethylidene-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetic acid 2-(3,4-dihydroxyphenyl)ethyl ester [2S-(2alpha,3E,4beta)]-3-ethylidene-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetate 2-(3,4-dihydroxyphenyl)ethyl ester [2S-(2alpha,3E,4beta)]-3-ethylidene-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetic acid 2-(3,4-dihydroxyphenyl)ethyl ester methyl (2S,3E,4S)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-ethylidene-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate oleuropein
seed.compound:cpd34133 seedM:cpd34133 RFWGABANNQMHMZ-ZCHJGGQASA-N	Oleuropein oleuropein
metacyc.compound:CPD-17784 metacycM:CPD-17784 RFWGABANNQMHMZ-ZCHJGGQASA-N	oleuropein
hmdb:HMDB35872 chebi:68987 keggC:M_C09794 seedM:M_cpd06686 seedM:M_cpd34133	secondary/obsolete/fantasy identifier