Mrv0541 11191310552D 58 65 0 0 0 0 999 V2000 0.2934 -8.6793 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0813 -8.4450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1378 -8.6516 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8831 -9.8825 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4179 -8.2534 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1506 -9.4780 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5561 -9.1138 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2763 -9.5035 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3378 -8.8710 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4201 -7.4292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4478 -9.9102 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9957 -9.3651 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0557 -9.7718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5753 -7.7849 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8427 -8.2193 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5881 -9.4502 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3685 -8.6346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9312 -7.0247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6882 -8.3301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8716 -10.6278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3485 -8.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1463 -7.8275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4751 -10.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4763 -10.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5709 -8.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5369 -6.9629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2051 -6.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8256 -7.3888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5772 -9.9529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3164 -9.8485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1841 -8.7645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3140 -9.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0254 -9.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0791 -7.6209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5199 -6.1387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2737 -10.6811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7991 -6.0429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0084 -8.5898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3701 -7.2056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6487 -10.1168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2912 -7.8552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2567 -7.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0662 -11.1774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5872 -6.4092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7537 -9.8144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9637 -6.9352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2737 -8.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0876 -6.7968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7938 -5.6106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4837 -11.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -7.9169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8746 -9.0627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1358 -10.4917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5254 -10.1189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9629 -9.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6895 -7.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4201 -9.0797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3579 -9.6960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 1 1 0 0 0 0 6 11 1 0 0 0 0 7 2 1 0 0 0 0 8 1 1 0 0 0 0 9 7 1 0 0 0 0 5 10 1 0 0 0 0 11 8 1 0 0 0 0 12 9 1 0 0 0 0 13 8 1 0 0 0 0 14 2 1 0 0 0 0 15 3 1 0 0 0 0 16 4 1 0 0 0 0 17 19 1 0 0 0 0 18 10 1 0 0 0 0 14 19 1 1 0 0 0 20 11 1 0 0 0 0 21 14 1 0 0 0 0 3 22 1 1 0 0 0 4 23 1 1 0 0 0 24 20 1 0 0 0 0 25 15 1 0 0 0 0 26 28 1 0 0 0 0 10 27 1 6 0 0 0 15 28 1 6 0 0 0 29 12 1 0 0 0 0 16 30 1 6 0 0 0 31 17 1 0 0 0 0 32 31 1 0 0 0 0 33 30 1 0 0 0 0 2 34 1 6 0 0 0 35 26 2 0 0 0 0 36 23 2 0 0 0 0 37 27 2 0 0 0 0 38 33 2 0 0 0 0 39 10 1 0 0 0 0 12 40 1 1 0 0 0 1 41 1 1 0 0 0 42 26 1 0 0 0 0 43 23 1 0 0 0 0 44 27 1 0 0 0 0 45 33 1 0 0 0 0 46 42 2 0 0 0 0 47 42 1 0 0 0 0 48 39 1 0 0 0 0 49 44 1 0 0 0 0 50 43 1 0 0 0 0 17 51 1 1 0 0 0 6 52 1 6 0 0 0 11 53 1 1 0 0 0 8 54 1 1 0 0 0 7 55 1 6 0 0 0 7 13 1 0 0 0 0 21 9 1 0 0 0 0 3 6 1 0 0 0 0 18 22 1 0 0 0 0 12 17 1 0 0 0 0 24 4 1 0 0 0 0 16 25 1 0 0 0 0 32 29 2 0 0 0 0 46 56 1 0 0 0 0 5 57 1 6 0 0 0 9 58 1 6 0 0 0 M END > CHEBI:67303 > 3-acetyl-11-methoxy-1-tigloylazadirachtinin > A limonoid found in Azadirachta indica. > 3 > 1-O-tigloyl-3-acetyl-11-O-methylazadirachtinin > dimethyl (2aS,3R,5S,5aS,8S,8aR,8bS,8cR,9S,10aS,13aS,14S,14aR,15aS,15bR,15cR)-3-(acetyloxy)-8c,13a-dihydroxy-8-methoxy-8b,14a-dimethyl-5-{[(2E)-2-methylbut-2-enoyl]oxy}-4,5,8,8a,8b,8c,9,10a,13a,14,14a,15a,15b,15c-tetradecahydro-2H-9,14-methanodifuro[2'',3'',4'':4',5';4''',3''':1',8a']naphtho[2',3':4,5]furo[2,3-e]furo[2,3-b]oxepine-2a,8(3H)-dicarboxylate > C36H46O16 > 734.74080 > 734.27859 > 0 > COC(=O)[C@@]1(OC)OC[C@@]23[C@H]4[C@@H](OC[C@@]4([C@@H](C[C@@H]2OC(=O)C(\C)=C\C)OC(C)=O)C(=O)OC)[C@H]2O[C@]4(C)[C@H]5C[C@H](O[C@@H]6OC=C[C@]56O)[C@]4(O)[C@@]2(C)[C@H]13 > InChI=1S/C36H46O16/c1-9-16(2)25(38)50-19-13-20(49-17(3)37)33(27(39)43-6)14-47-22-23(33)32(19)15-48-35(45-8,28(40)44-7)26(32)30(4)24(22)52-31(5)18-12-21(36(30,31)42)51-29-34(18,41)10-11-46-29/h9-11,18-24,26,29,41-42H,12-15H2,1-8H3/b16-9+/t18-,19+,20-,21+,22-,23-,24-,26+,29+,30-,31-,32+,33+,34+,35+,36+/m1/s1 > IRLZLBSKSFBHPL-JNIVOBJJSA-N > 5221283 > 21381696 $$$$