Marvin 12171216262D 33 35 0 0 0 0 999 V2000 6.3926 -7.4961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3915 -8.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0797 -8.6858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7694 -8.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7667 -7.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0781 -7.0990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4798 -7.0740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4846 -8.6994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6780 -7.0840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9635 -7.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2488 -7.0843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5344 -7.4968 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8184 -7.0865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1060 -7.4956 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1021 -8.3208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8166 -8.7351 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5350 -8.3243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8141 -9.5599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3928 -7.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6769 -7.4908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2489 -8.7378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3862 -8.7307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0363 -7.0720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7522 -7.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0334 -6.2473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4654 -7.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1813 -7.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8937 -7.0595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6092 -7.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6124 -8.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8945 -8.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1818 -8.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3278 -8.7053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 1 0 0 0 1 9 1 0 0 0 0 14 19 1 1 0 0 0 4 5 1 0 0 0 0 19 20 1 0 0 0 0 9 10 1 0 0 0 0 17 21 1 6 0 0 0 2 3 1 0 0 0 0 15 22 1 6 0 0 0 10 11 1 0 0 0 0 20 23 1 0 0 0 0 5 6 2 0 0 0 0 23 24 1 0 0 0 0 12 11 1 1 0 0 0 23 25 2 0 0 0 0 12 13 1 0 0 0 0 24 26 2 0 0 0 0 6 1 1 0 0 0 0 26 27 1 0 0 0 0 1 2 2 0 0 0 0 27 28 2 0 0 0 0 5 7 1 0 0 0 0 28 29 1 0 0 0 0 3 4 2 0 0 0 0 29 30 2 0 0 0 0 4 8 1 0 0 0 0 30 31 1 0 0 0 0 12 17 1 0 0 0 0 31 32 2 0 0 0 0 32 27 1 0 0 0 0 13 14 1 0 0 0 0 30 33 1 0 0 0 0 M END > CHEBI:65664 > 6'-coumaroyl-1'-O-[2-(3,4-dihydroxyphenyl)ethyl]-beta-D-glucopyranoside > A cinnamate ester obtained by the formal condensation of trans-4-coumaric acid with 2-(3,4-dihydroxyphenyl)ethyl β-D-glucopyranoside. It is a phenolic glycoside derivative obtained from the aerial parts of Globularia alypum and exhibits antioxidant activity. > 3 > 2-(3,4-dihydroxyphenyl)ethyl 6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranoside > C23H26O10 > 462.44650 > 462.15260 > 0 > O[C@@H]1[C@@H](COC(=O)\C=C\c2ccc(O)cc2)O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@H]1O > InChI=1S/C23H26O10/c24-15-5-1-13(2-6-15)4-8-19(27)32-12-18-20(28)21(29)22(30)23(33-18)31-10-9-14-3-7-16(25)17(26)11-14/h1-8,11,18,20-26,28-30H,9-10,12H2/b8-4+/t18-,20-,21+,22-,23-/m1/s1 > DNMNWOHCZHSQAI-FZYQUXMESA-N > 15769700 > 16124783 $$$$