Mrv0541 11211316252D 25 26 0 0 1 0 999 V2000 11.8997 -10.7894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6117 -10.3783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6065 -9.5539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3177 -10.7805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0297 -10.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7469 -10.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7520 -11.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4690 -12.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1810 -11.5870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8983 -11.9948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1758 -10.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4587 -10.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4552 -11.6235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7328 -10.3724 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7328 -9.5384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4552 -9.1214 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1775 -9.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1775 -10.3724 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4552 -10.7894 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8722 -8.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4551 -7.6767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7062 -8.3991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0381 -8.3990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0105 -10.7895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3201 -11.6055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 14 24 1 6 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 1 0 0 0 16 23 1 6 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 19 13 1 6 0 0 0 18 1 1 1 0 0 0 4 25 1 4 0 0 0 M END > CHEBI:75500 > 5-p-coumaroylquinic acid > A cinnamate ester obtained by formal condensation of the carboxy group of 4-coumaric acid with the 5-hydroxy group of (−)-quinic acid. > 3 > (1S,3R,4R,5R)-1,3,4-trihydroxy-5-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohexanecarboxylic acid > C16H18O8 > 338.30930 > 338.10017 > 0 > O[C@@H]1C[C@](O)(C[C@@H](OC(=O)C=Cc2ccc(O)cc2)[C@@H]1O)C(O)=O > InChI=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)/t11-,12-,14-,16+/m1/s1 > BMRSEYFENKXDIS-NCZKRNLISA-N > 1899-30-5 > 2706506 > 1899-30-5 $$$$