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5-O-[(E)-caffeoyl]-D-quinate

MNXM727311 is deprecated and replaced by MNXM727309
PropertiesImageOccurences in reactions
MNX_IDMNXM727309Image of MNXM727309
#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
formulaC16H17O9
charge-1
mass353.08781
referencechebi:57754
InChIKeyCWVRJTMFETXNAD-NXLLHMKUSA-M
InChIInChI=1S/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)/p-1/b4-2+/t11-,12-,14+,16-/m1/s1
SMILESO=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@@](O)(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:57754
chebi:57754 		5-O-[(E)-caffeoyl]-D-quinate
(1R,3R,4S,5R)-3-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylate
1D-[1(OH),3,4/5]-3-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylate
trans-5-O-caffeoyl-D-quinate
trans-5-O-caffeoyl-D-quinate anion
hmdb:HMDB0240477 5-Caffeoylquinic acid
(1R,3R,4S,5R)-3-[(2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylate
(1R,3R,4S,5R)-3-[(2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid
(1R,3R,4S,5R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid
5'-O-Caffeoylquinic acid
5-Caffeoylquinate
5-O-Caffeoylquinic acid
Caffeoyl quinate
Caffeoyl quinic acid
Neochlorogenate
Neochlorogenic acid
neochlorogenic acid
trans-5-O-Caffeoyl-D-quinate
trans-5-O-Caffeoyl-D-quinic acid
trans-Neochlorogenate
trans-Neochlorogenic acid
sabiork.compound:14243
sabiorkM:14243 		Caffeoyl quinic acid
seed.compound:cpd17381
seedM:cpd17381 		Neochlorogenate
Neochlorogenic acid
trans-Neochlorogenic acid
kegg.compound:C17147
keggC:C17147 		Neochlorogenic acid
Neochlorogenate
trans-Neochlorogenic acid
sabiork.compound:6938
sabiorkM:6938 		trans-5-O-caffeoyl-D-quinate
CHEBI:16384
chebi:16384 		trans-5-O-caffeoyl-D-quinic acid
(1R,3R,4S,5R)-3-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid
1D-[1(OH),3,4/5]-3-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,4,5-trihydroxycyclohexanecarboxylic acid
Caffeoyl quinic acid
Neochlorogenate
Neochlorogenic acid
trans-5-O-Caffeoyl-D-quinate
trans-Neochlorogenic acid
chebi:10717
chebi:12867
chebi:27064
chebi:31333
keggC:M_C17147
seedM:M_cpd17381 		secondary/obsolete/fantasy identifier