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4-O-feruloyl-D-quinate

MNXM166225 is deprecated and here replaced by MNXM1129679
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1129679 Image of MNXM1129679
referencechebi:60078
formulaC17H19O9
global charge-1
mol weight367.33
InChIKeyVTMFDSJJVNQXLT-KSQYBWRXSA-M
InChIInChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/p-1/b5-3+/t11-,12-,15-,17+/m1/s1
SMILESCOC1=CC(/C=C/C(=O)O[C@H]2[C@H](O)C[C@](O)(C(=O)[O-])C[C@H]2O)=CC=C1O
MNX internals
InChI (mnx)InChI=1/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15-,17+/m1/s1 Image of MNXM1129679
SMILES (mnx)[CH3:1][O:25][C:13]1=[C:10]([OH:18])[CH:4]=[CH:2][C:9](/[CH:3]=[CH:5]/[C:14](=[O:21])[O:26][C@@H:15]2[C@H:11]([OH:19])[CH2:7][C@:17]([C:16](=[O:22])[OH:23])([OH:24])[CH2:8][C@H:12]2[OH:20])=[CH:6]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:60078
chebi:60078
VTMFDSJJVNQXLT-KSQYBWRXSA-M 		4-O-feruloyl-D-quinate
(1S,3R,4S,5R)-1,3,5-trihydroxy-4-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexanecarboxylate
4-O-feruloyl-D-quinate anion
hmdb:HMDB0240453
VTMFDSJJVNQXLT-KSQYBWRXSA-N 		4-Feruloylquinic acid
(1S,3R,4S,5R)-1,3,5-trihydroxy-4-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid
4-FQA
4-Feruloylquinate
4-O-(e)-Feruloylquinic acid
4-O-Feruloylquinic acid
4-O-feruloyl-D-quinic acid
O-Feruloylquinate
O-Feruloylquinic acid
trans-4-O-Feruloyl quinic acid
trans-4-O-Feruloylquinic acid

metacyc.compound:CPD-416
metacycM:CPD-416
VTMFDSJJVNQXLT-AARZOWLDSA-M 		4-O-feruloyl-D-quinate
4-O-feruloyl-D-quinic acid

CHEBI:18013
chebi:18013
VTMFDSJJVNQXLT-KSQYBWRXSA-N 		4-O-feruloyl-D-quinic acid
(1S,3R,4S,5R)-1,3,5-trihydroxy-4-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexanecarboxylic acid
O-Feruloylquinate

CHEBI:176888
chebi:176888
VTMFDSJJVNQXLT-KSQYBWRXSA-N 		4-O-feruloylquinic acid

seed.compound:cpd01683
seedM:cpd01683
VTMFDSJJVNQXLT-AARZOWLDSA-M 		O-Feruloylquinate
3-O-Feruloylquinic acid
5-O-Feruloylquinic acid
O-feruloylquinate

chebi:12691
chebi:21954
chebi:7685
seedM:M_cpd01683 		secondary/obsolete/fantasy identifier