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5-O-[(E)-caffeoyl]-shikimate

PropertiesImageOccurences in reactions
MNX_IDMNXM4499Image of MNXM4499
#reac
in my sandbox 0
in MNXref (generic)10
in models (compartimentalized) 1
formulaC16H15O8
charge-1
mass335.07724
referencechebi:91005
InChIKeyQMPHZIPNNJOWQI-GDDAOPKQSA-M
InChIInChI=1S/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(20)24-13-7-9(16(22)23)6-12(19)15(13)21/h1-6,12-13,15,17-19,21H,7H2,(H,22,23)/p-1/b4-2+/t12-,13-,15-/m1/s1
SMILESO=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1CC(C(=O)[O-])=C[C@@H](O)[C@H]1O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:91005
chebi:91005
5-O-[(E)-caffeoyl]-shikimate
(3R,4R,5R)-5-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4-dihydroxycyclohex-1-ene-1-carboxylate
5-(trans-caffeoyl)shikimate
5-O-caffeoylshikimate
5-[(E)-caffeoyl]shikimate
5-caffeoylshikimate
caffeoylshikimate
kegg.compound:C10434
keggC:C10434
5-O-Caffeoylshikimic acid
sabiork.compound:12518
sabiorkM:12518
5-O-Caffeoylshikimic acid
5-O-Caffeoylshikimate
seed.compound:cpd07322
seedM:cpd07322
5-O-Caffeoylshikimic acid
5-O-caffeoylshikimate
5-O-caffeoylshikimic acid
caffeoylshikimic acid
metacyc.compound:CAFFEOYLSHIKIMATE
metacycM:CAFFEOYLSHIKIMATE
5-O-caffeoylshikimate
5--O-caffeoylshikimic acid
caffeoylshikimate
caffeoylshikimic acid
CHEBI:2106
chebi:2106
5-[(E)-caffeoyl]shikimic acid
(3R,4R,5R)-5-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4-dihydroxycyclohex-1-ene-1-carboxylic acid
5-(trans-caffeoyl)shikimic acid
5-caffeoylshikimic acid
hmdb:HMDB0033999 Dattelic acid
(3R,4R,5R)-5-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4-dihydroxycyclohex-1-ene-1-carboxylic acid
5-Caffeoylshikimate
5-Caffeoylshikimic acid
5-O-Caffeoylshikimate
5-O-Caffeoylshikimic acid
5-O-caffeoylshikimic acid
5-[(e)-Caffeoyl]shikimate
Caffeoylshikimate
Caffeoylshikimic acid
Dactylifric acid
Dattelate
trans-5-O-Caffeoylshikimic acid
trans-Caffeic acid 5-O-shikimate
CHEBI:175271
chebi:175271
Dattelic acid
5-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4-dihydroxycyclohexene-1-carboxylic acid
seed.compound:cpd22504
seedM:cpd22504
caffeoylshikimate
5--O-caffeoylshikimic acid
hmdb:HMDB33999
chebi:133566
keggC:M_C10434
seedM:M_cpd07322
seedM:M_cpd22504
secondary/obsolete/fantasy identifier