CDK 1018121544 41 45 0 0 0 0 0 0 0 0999 V2000 17.9795 -16.1484 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6914 -15.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6914 -14.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9795 -14.4990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2676 -15.7424 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2606 -14.9108 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4716 -14.6582 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9886 -15.3331 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4787 -15.9997 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9795 -16.9732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6909 -17.3855 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6896 -18.2117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3991 -18.6239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1184 -18.2169 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.1173 -17.3906 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.4051 -16.9716 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9740 -17.7958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4057 -16.1468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8275 -18.6291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8308 -16.9779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3944 -19.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6805 -19.8569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2123 -13.8759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2606 -14.0860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2676 -16.5672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7699 -16.1281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2614 -16.7946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4637 -17.0039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1867 -15.1159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4046 -13.7093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1450 -12.9265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8564 -14.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0486 -14.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5005 -14.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6932 -14.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1453 -15.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4047 -16.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2172 -16.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7615 -15.5523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8573 -16.6212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3376 -15.0533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 11 17 1 6 0 0 0 16 18 1 6 0 0 0 14 19 1 6 0 0 0 15 20 1 1 0 0 0 13 21 1 1 0 0 0 21 22 1 0 0 0 0 7 23 1 1 0 0 0 6 24 1 1 0 0 0 5 25 1 1 0 0 0 8 26 1 0 0 0 0 9 26 1 0 0 0 0 6 4 1 0 0 0 0 9 27 1 6 0 0 0 5 1 1 0 0 0 0 27 28 1 0 0 0 0 1 2 1 0 0 0 0 8 29 1 6 0 0 0 2 3 1 0 0 0 0 23 30 1 0 0 0 0 3 4 2 0 0 0 0 30 31 2 0 0 0 0 5 6 1 0 0 0 0 30 32 1 0 0 0 0 6 7 1 0 0 0 0 32 33 2 0 0 0 0 7 8 1 0 0 0 0 33 34 1 0 0 0 0 8 9 1 0 0 0 0 34 35 2 0 0 0 0 9 5 1 0 0 0 0 35 36 1 0 0 0 0 1 10 1 1 0 0 0 36 37 2 0 0 0 0 10 11 1 0 0 0 0 37 38 1 0 0 0 0 11 12 1 0 0 0 0 38 39 2 0 0 0 0 39 34 1 0 0 0 0 11 16 1 0 0 0 0 37 40 1 0 0 0 0 12 13 1 0 0 0 0 36 41 1 0 0 0 0 M END > CHEBI:69799 > verminoside > A natural product found in Veronica lavaudiana. > 2 > (1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-Glucopyranosyloxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-6-yl (2E)-3-(3,4-dihydroxyphenyl)acrylate > C24H28O13 > 524.47130 > 524.15299 > 0 > [H][C@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1OC=C[C@@]2([H])[C@H](OC(=O)\C=C\c3ccc(O)c(O)c3)[C@]3([H])O[C@]3(CO)[C@@]12[H] > InChI=1S/C24H28O13/c25-8-14-17(30)18(31)19(32)23(34-14)36-22-16-11(5-6-33-22)20(21-24(16,9-26)37-21)35-15(29)4-2-10-1-3-12(27)13(28)7-10/h1-7,11,14,16-23,25-28,30-32H,8-9H2/b4-2+/t11-,14-,16-,17-,18+,19-,20+,21+,22+,23+,24-/m1/s1 > MZQXNUBTVLKMLP-QOEJBJAYSA-N > 21568305 $$$$