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3,4-DHPEA-EA

PropertiesImage
MNX_IDMNXM117216 Image of MNXM117216
referencechebi:89421
formulaC19H22O8
global charge0
mol weight378.377
InChIKeyBIWKXNFEOZXNLX-SQOYHTLWSA-N
InChIInChI=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
SMILESC/C=C1\[C@H](O)OC=C(C(=O)OC)[C@H]1CC(=O)OCCC1=CC=C(O)C(O)=C1
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM117216
SMILES (mnx)[CH3:1]/[CH:3]=[C:12]1/[C@H:13]([CH2:9][C:17](=[O:22])[O:26][CH2:7][CH2:6][C:11]2=[CH:8][C:16]([OH:21])=[C:15]([OH:20])[CH:5]=[CH:4]2)[C:14]([C:18](=[O:23])[O:25][CH3:2])=[CH:10][O:27][C@H:19]1[OH:24]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:89421
chebi:89421
BIWKXNFEOZXNLX-SQOYHTLWSA-N 		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
BIWKXNFEOZXNLX-SQOYHTLWSA-N 		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
BIWKXNFEOZXNLX-SQOYHTLWSA-N 		Oleuropein aglycone

hmdb:HMDB29304
keggC:M_C21786 		secondary/obsolete/fantasy identifier