CDK 2/12/10,15:27 23 24 0 0 0 0 0 0 0 0999 V2000 14.9225 -8.5747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6312 -8.1637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2023 -8.1675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9225 -9.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3400 -8.5747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4936 -8.5747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2023 -9.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6350 -9.8151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0601 -8.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3400 -9.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4936 -9.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7848 -8.1675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2023 -10.6445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7689 -8.5747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0639 -7.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0601 -9.8264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7810 -9.8113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7848 -7.3456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7689 -9.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3551 -6.9347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3551 -6.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6463 -5.7019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0676 -5.7056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 0 1 3 1 0 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 6 0 0 0 5 9 2 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 1 0 0 0 7 13 1 1 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 16 2 0 0 0 0 11 17 1 6 0 0 0 12 18 1 0 0 0 0 14 19 2 0 0 0 0 15 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 7 11 1 0 0 0 0 16 19 1 0 0 0 0 M CHG 1 22 -1 M END > CHEBI:58181 > trans-beta-D-glucosyl-2-hydroxycinnamate > The conjugate base of trans-β-D-glucosyl-2-hydroxycinnamic acid; major species at pH 7.3. > 3 > trans-beta-D-glucosyl-2-hydroxycinnamate(1-); trans-beta-D-glucosyl-2-hydroxycinnamate anion; trans-beta-D-glucosyl-2-hydroxycinnamate > C15H17O8 > 325.29070 > 325.09289 > -1 > OC[C@H]1O[C@@H](Oc2ccccc2\C=C\C([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O > InChI=1S/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)/p-1/b6-5+/t10-,12-,13+,14-,15-/m1/s1 > GVRIYIMNJGULCZ-ZMKUSUEASA-M $$$$