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2-(3,4-Dihydroxyphenylethyl)-6-epi-elenaiate

PropertiesImage
MNX_IDMNXM116540 Image of MNXM116540
referencechebi:175849
formulaC19H22O8
global charge0
mol weight378.377
InChIKeyDEBZOPZQKONWTK-UHFFFAOYSA-N
InChIInChI=1S/C19H22O8/c1-11-14(9-20)13(15(10-27-11)19(24)25-2)8-18(23)26-6-5-12-3-4-16(21)17(22)7-12/h3-4,7,9-11,13-14,21-22H,5-6,8H2,1-2H3
SMILESCOC(=O)C1=COC(C)C(C=O)C1CC(=O)OCCC1=CC(O)=C(O)C=C1
MNX internals
InChI (mnx)InChI=1/C19H22O8/c1-11-14(9-20)13(15(10-27-11)19(24)25-2)8-18(23)26-6-5-12-3-4-16(21)17(22)7-12/h3-4,7,9-11,13-14,21-22H,5-6,8H2,1-2H3/t11?,13?,14? Image of MNXM116540
SMILES (mnx)[CH3:1][CH:11]1[CH:14]([CH:9]=[O:20])[CH:13]([CH2:8][C:18](=[O:23])[O:26][CH2:6][CH2:5][C:12]2=[CH:7][C:17]([OH:22])=[C:16]([OH:21])[CH:4]=[CH:3]2)[C:15]([C:19](=[O:24])[O:25][CH3:2])=[CH:10][O:27]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:175849
chebi:175849
DEBZOPZQKONWTK-UHFFFAOYSA-N 		2-(3,4-Dihydroxyphenylethyl)-6-epi-elenaiate
methyl 4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-3-ormyl-2-methyl-3,4-dihydro-2H-pyran-5-carboxylate
hmdb:HMDB0039137
DEBZOPZQKONWTK-UHFFFAOYSA-N 		2-(3,4-Dihydroxyphenylethyl)-6-epi-elenaiate
(3,4-Dihydroxyphenylethyl)-elenaiic acid
2-(3,4-Dihydroxyphenylethyl)-6-epi-elenaiic acid
Methyl 4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-formyl-2-methyl-3,4-dihydro-2H-pyran-5-carboxylic acid
methyl 4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-3-formyl-2-methyl-3,4-dihydro-2H-pyran-5-carboxylate
methyl 4-{2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl}-5-formyl-6-methyl-5,6-dihydro-4H-pyran-3-carboxylate

hmdb:HMDB39137 		secondary/obsolete/fantasy identifier