Search MNXref
 Feedback

4-p-Coumaroyl-1,5-quinolactone

PropertiesImage
MNX_IDMNXM118018 Image of MNXM118018
referencechebi:175083
formulaC16H16O7
global charge0
mol weight320.297
InChIKeyPZLNXMHSYFPCAE-OTCYKTEZSA-N
InChIInChI=1S/C16H16O7/c17-10-4-1-9(2-5-10)3-6-13(19)23-14-11(18)7-16(21)8-12(14)22-15(16)20/h1-6,11-12,14,17-18,21H,7-8H2/b6-3+/t11-,12-,14-,16+/m1/s1
SMILESO=C(/C=C/C1=CC=C(O)C=C1)O[C@@H]1[C@H](O)C[C@]2(O)C[C@H]1OC2=O
MNX internals
InChI (mnx)InChI=1/C16H16O7/c17-10-4-1-9(2-5-10)3-6-13(19)23-14-11(18)7-16(21)8-12(14)22-15(16)20/h1-6,11-12,14,17-18,21H,7-8H2/b6-3+/t11-,12-,14-,16+/m1/s1 Image of MNXM118018
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:23][C@@H:14]1[C@H:11]([OH:18])[CH2:7][C@:16]2([OH:21])[CH2:8][C@H:12]1[O:22][C:15]2=[O:20]
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:175083
chebi:175083
PZLNXMHSYFPCAE-OTCYKTEZSA-N 		4-p-Coumaroyl-1,5-quinolactone
[(1S,3R,4R,5R)-1,3-dihydroxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
hmdb:HMDB0029293
PZLNXMHSYFPCAE-OTCYKTEZSA-N 		4-p-Coumaroyl-1,5-quinolactone
(1S,3R,4R,5R)-1,3-Dihydroxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoic acid
(1S,3R,4R,5R)-1,3-dihydroxy-7-oxo-6-oxabicyclo[3.2.1]octan-4-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate
4-Coumaroyl-1,5-lactone
4-Coumaroyl-1,5-quinide
4-Coumaroylquinic acid lactone

hmdb:HMDB29293 		secondary/obsolete/fantasy identifier