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5-O-cis-caffeoylquinic acid

MNXM1546 is deprecated and here replaced by MNXM1371040
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371040 Image of MNXM1371040
referencechebi:75489
formulaC16H18O9
global charge0
mol weight354.311
InChIKeyCWVRJTMFETXNAD-XYXZIBEBSA-N
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)/b4-2-/t11-,12-,14-,16+/m1/s1
SMILESO=C(/C=C\C1=CC=C(O)C(O)=C1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/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)/b4-2-/t11-,12-,14-,16+/m1/s1 Image of MNXM1371040
SMILES (mnx)[CH:1]1=[CH:3][C:9]([OH:17])=[C:10]([OH:18])[CH:5]=[C:8]1/[CH:2]=[CH:4]\[C:13](=[O:20])[O:25][C@@H:12]1[CH2:7][C@@:16]([C:15](=[O:22])[OH:23])([OH:24])[CH2:6][C@@H:11]([OH:19])[C@H:14]1[OH:21]
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:75489
chebi:75489
CWVRJTMFETXNAD-XYXZIBEBSA-N 		5-O-cis-caffeoylquinic acid
(1S,3R,4R,5R)-3-{[(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexanecarboxylic acid
5-O-(Z)-caffeoylquinic acid
cis-5-O-caffeoylquinic acid
cis-chlorogenic acid
hmdb:HMDB0029278
CWVRJTMFETXNAD-XYXZIBEBSA-N 		Cis-5-Caffeoylquinic acid
(1S,3R,4R,5R)-3-{[(2Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid
5-O-(Z)-Caffeoylquinate
5-O-(Z)-Caffeoylquinic acid
5-O-cis-Caffeoylquinate
cis-5-Caffeoylquinate
cis-5-O-Caffeoylquinate
cis-5-O-Caffeoylquinic acid
cis-Chlorogenate
cis-Chlorogenic acid

hmdb:HMDB29278 		secondary/obsolete/fantasy identifier