Mrv0541 11251311022D 46 50 0 0 0 0 999 V2000 0.2833 -10.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 -11.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2792 -9.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1501 -10.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7252 -12.4513 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0084 -12.0429 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4417 -9.5635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2795 -8.7551 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1543 -9.9843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9879 -8.3342 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7335 -13.2806 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9959 -11.2179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9754 -7.5050 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2917 -12.4638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5545 -8.3509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8710 -11.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0209 -13.6972 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2545 -7.1049 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3000 -13.2889 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5461 -7.5300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5795 -9.9885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4378 -12.0345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8710 -9.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2920 -9.5802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5795 -10.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9959 -9.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4335 -11.2137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 -12.0470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1420 -10.7969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7088 -8.7301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9918 -8.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7085 -9.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4503 -13.6889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6838 -7.0799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8710 -12.0470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0293 -14.5223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2420 -6.2798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4169 -8.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7044 -8.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4169 -9.5677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7627 -7.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4792 -13.5597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1295 -8.3342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 -14.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7544 -6.4424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7169 -10.8011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 1 2 0 0 0 0 4 2 1 0 0 0 0 5 6 1 0 0 0 0 6 12 1 1 0 0 0 7 3 1 0 0 0 0 8 24 1 1 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 5 1 0 0 0 0 12 1 1 0 0 0 0 13 10 1 0 0 0 0 14 6 1 0 0 0 0 15 8 1 0 0 0 0 16 4 2 0 0 0 0 17 11 1 0 0 0 0 18 13 1 0 0 0 0 19 14 1 0 0 0 0 20 15 1 0 0 0 0 21 23 1 0 0 0 0 5 22 1 6 0 0 0 23 9 2 0 0 0 0 24 21 1 0 0 0 0 25 16 1 0 0 0 0 26 3 1 0 0 0 0 27 22 1 0 0 0 0 28 2 2 0 0 0 0 29 27 2 0 0 0 0 10 30 1 6 0 0 0 31 26 1 0 0 0 0 32 26 2 0 0 0 0 11 33 1 1 0 0 0 13 34 1 1 0 0 0 35 16 1 0 0 0 0 17 36 1 6 0 0 0 18 37 1 6 0 0 0 38 39 1 0 0 0 0 39 31 2 0 0 0 0 40 32 1 0 0 0 0 20 41 1 1 0 0 0 19 42 1 1 0 0 0 43 38 1 0 0 0 0 44 42 1 0 0 0 0 45 41 1 0 0 0 0 46 27 1 0 0 0 0 4 9 1 0 0 0 0 19 17 1 0 0 0 0 38 40 2 0 0 0 0 25 21 2 0 0 0 0 20 18 1 0 0 0 0 M END > CHEBI:67929 > 2''-acetylpaeonoside > A kaempferol O-glucoside that is the 2ʼʼ-acetyl derivative of kaempferol-3-O-β-D-glucopyranosyl-7-O-β-D-glucopyranoside (paeonoside). Isolated from Delphinium staphisagria, it exhibits trypanocidal activity. > 3 > 7-(beta-D-glucopyranosyloxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 2-O-acetyl-beta-D-glucopyranoside > C29H32O17 > 652.55420 > 652.16395 > 0 > CC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc1c(oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2c1=O)-c1ccc(O)cc1 > InChI=1S/C29H32O17/c1-10(32)41-27-23(39)20(36)17(9-31)45-29(27)46-26-21(37)18-14(34)6-13(42-28-24(40)22(38)19(35)16(8-30)44-28)7-15(18)43-25(26)11-2-4-12(33)5-3-11/h2-7,16-17,19-20,22-24,27-31,33-36,38-40H,8-9H2,1H3/t16-,17-,19-,20-,22+,23+,24-,27-,28-,29+/m1/s1 > UNCGSIXTLZAFKK-RXRZWAIISA-N > 1338924 > 21466157 $$$$