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3-p-Coumaroyl-1,5-quinolactone

PropertiesImage
MNX_IDMNXM117604 Image of MNXM117604
referencechebi:175082
formulaC16H16O7
global charge0
mol weight320.297
InChIKeyUDRNBJSMWYQCNZ-OTCYKTEZSA-N
InChIInChI=1S/C16H16O7/c17-10-4-1-9(2-5-10)3-6-13(18)22-11-7-16(21)8-12(14(11)19)23-15(16)20/h1-6,11-12,14,17,19,21H,7-8H2/b6-3+/t11-,12-,14-,16+/m1/s1
SMILESO=C(/C=C/C1=CC=C(O)C=C1)O[C@@H]1C[C@]2(O)C[C@@H](OC2=O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C16H16O7/c17-10-4-1-9(2-5-10)3-6-13(18)22-11-7-16(21)8-12(14(11)19)23-15(16)20/h1-6,11-12,14,17,19,21H,7-8H2/b6-3+/t11-,12-,14-,16+/m1/s1 Image of MNXM117604
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:18])[O:22][C@@H:11]1[CH2:7][C@:16]2([OH:21])[CH2:8][C@H:12]([C@@H:14]1[OH:19])[O:23][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:175082
chebi:175082
UDRNBJSMWYQCNZ-OTCYKTEZSA-N 		3-p-Coumaroyl-1,5-quinolactone
[(1R,3R,4R,5R)-1,4-dihydroxy-7-oxo-6-oxabicyclo[3.2.1]octan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
hmdb:HMDB0029292
UDRNBJSMWYQCNZ-OTCYKTEZSA-N 		3-p-Coumaroyl-1,5-quinolactone
(1R,3R,4R,5R)-1,4-Dihydroxy-7-oxo-6-oxabicyclo[3.2.1]octan-3-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoic acid
3-Coumaroyl-1,5-lactone
3-Coumaroyl-1,5-quinide
3-Coumaroylquinic acid lactone

hmdb:HMDB29292 		secondary/obsolete/fantasy identifier