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trans-5-O-(4-coumaroyl)-D-quinate

MNXM733483 is deprecated and replaced by MNXM733481
PropertiesImage
MNX_IDMNXM733481 Image of MNXM733481
referencechebi:57575
formulaC16H17O8
global charge-1
mol weight337.304
InChIKeyBMRSEYFENKXDIS-OTCYKTEZSA-M
InChIInChI=1S/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/p-1/b6-3+/t11-,12-,14-,16+/m1/s1
SMILESO=C(/C=C/C1=CC=C(O)C=C1)O[C@@H]1C[C@](O)(C(=O)[O-])C[C@@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)/b6-3+/t11-,12-,14-,16+/m1/s1 Image of MNXM733481
SMILES (mnx)[CH:1]1=[CH:4][C:10]([OH:17])=[CH:5][CH:2]=[C:9]1/[CH:3]=[CH:6]/[C:13](=[O:19])[O:24][C@@H:12]1[CH2:8][C@@:16]([C:15](=[O:21])[OH:22])([OH:23])[CH2:7][C@@H:11]([OH:18])[C@H:14]1[OH:20]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)11
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57575
chebi:57575
BMRSEYFENKXDIS-OTCYKTEZSA-M 		trans-5-O-(4-coumaroyl)-D-quinate
(1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohexanecarboxylate
hmdb:HMDB0301709
BMRSEYFENKXDIS-OTCYKTEZSA-N 		5-p-Coumaroylquinic acid
(1S,3R,4R,5R)-1,3,4-trihydroxy-5-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
2-Coumaroylquinic acid
5-P-Coumaroylquinate
5-PCoQA
O-Coumaroylquinic acid
p-Coumaroyl quinate
p-Coumaroyl quinic acid
p-coumaroyl quinic acid
trans-5-O-(4-Coumaroyl)-D-quinate
trans-5-O-(4-Coumaroyl)-D-quinic acid

sabiork.compound:14242
sabiorkM:14242
BMRSEYFENKXDIS-OTCYKTEZSA-N 		p-Coumaroyl quinic acid
4-Coumaroylquinate

seed.compound:cpd02595
seedM:cpd02595
BMRSEYFENKXDIS-OTCYKTEZSA-M 		p-Coumaroyl quinic acid
4-coumaroylquinate
trans-(p-coumaroyl)-quinate
trans-5-O-(4-Coumaroyl)-D-quinate
trans-5-O-(4-coumaroyl)-D-quinate
trans-5-O-(4-coumaroyl)quinate

kegg.compound:C12208
keggC:C12208
BMRSEYFENKXDIS-OTCYKTEZSA-N 		p-Coumaroyl quinic acid
trans-5-O-(4-Coumaroyl)-D-quinate

sabiork.compound:7164
sabiorkM:7164
BMRSEYFENKXDIS-OTCYKTEZSA-N 		trans-5-O-(4-Coumaroyl)-D-quinate

metacyc.compound:4-COUMAROYLQUINATE
metacycM:4-COUMAROYLQUINATE
BMRSEYFENKXDIS-OTCYKTEZSA-M 		trans-5-O-(4-coumaroyl)-D-quinate
4-coumaroylquinate
trans-(p-coumaroyl)-quinate
trans-5-O-(4-coumaroyl)quinate

CHEBI:15937
chebi:15937
BMRSEYFENKXDIS-OTCYKTEZSA-N 		trans-5-O-(4-coumaroyl)-D-quinic acid
(1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohexanecarboxylic acid
p-Coumaroyl quinic acid
trans-5-O-(4-Coumaroyl)-D-quinate
trans-5-O-(4-coumaroyl)-D-quinate

chebi:10716
chebi:12866
chebi:27063
chebi:32351
keggC:M_C12208
seedM:M_cpd02595 		secondary/obsolete/fantasy identifier