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3,4-DHPEA-EA

Properties

Image

Occurences in reactions

MNX_ID

MNXM117216

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₁₉H₂₂O₈

charge

mass

378.13147

reference

chebi:89421

InChIKey

BIWKXNFEOZXNLX-SQOYHTLWSA-N

InChI

InChI=1S/C19H22O8/c1-3-12-13(14(18(23)25-2)10-27-19(12)24)9-17(22)26-7-6-11-4-5-15(20)16(21)8-11/h3-5,8,10,13,19-21,24H,6-7,9H2,1-2H3/b12-3-/t13-,19+/m0/s1

SMILES

C/C=C1/[C@H](CC(=O)OCCc2ccc(O)c(O)c2)C(C(=O)OC)=CO[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:89421 chebi:89421	3,4-DHPEA-EA 3,4-DHPEA-Elenolic acid mono-aldehyde Oleuropein-aglycone mono-aldehyde methyl (2R,3Z,4S)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-ethylidene-2-hydroxy-3,4-dihydro-2H-pyran-5-carboxylate
hmdb:HMDB0029304	3,4-DHPEA-EA 3,4-DHPEA-ea 3,4-DHPEA-elenolic acid mono-aldehyde 3,4-Dixydroxyphenylethanol elenolic acid Methyl (2R,4S)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-ethylidene-2-hydroxy-3,4-dihydro-2H-pyran-5-carboxylic acid Oleuropein-aglycone mono-aldehyde methyl (2R,3Z,4S)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-ethylidene-2-hydroxy-3,4-dihydro-2H-pyran-5-carboxylate methyl (4S,5Z,6R)-4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-5-ethylidene-6-hydroxy-4,6-dihydropyran-3-carboxylate
kegg.compound:C21786 keggC:C21786	Oleuropein aglycone
hmdb:HMDB29304 keggC:M_C21786	secondary/obsolete/fantasy identifier