Mrv0541 11181316512D 47 52 0 0 0 0 999 V2000 1.0529 0.0664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3316 -0.3275 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0943 -0.2985 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0736 0.8954 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1110 -1.1234 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3772 0.0953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8363 -1.5213 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4104 -1.5503 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3151 -1.1523 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8322 -0.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3337 0.4559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7990 0.1285 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8612 1.1358 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5411 -1.0943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8249 -2.2591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5244 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4301 -2.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3648 1.3224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1389 1.9151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3524 0.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7825 0.9534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2623 -1.4923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9670 -1.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1587 0.4394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 3.2457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6664 2.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9266 2.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9431 2.9763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9504 -0.2363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0197 -1.5793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3275 0.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0777 0.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1731 1.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4250 -2.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6924 -1.4592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1699 -2.1307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3855 -0.7254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8280 -0.7088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0038 -2.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7107 -2.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 -2.8006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6946 -3.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4334 -2.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1403 -2.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6172 3.4446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6861 1.1358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9348 1.6995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10 1 2 0 0 0 0 11 10 1 0 0 0 0 12 3 1 0 0 0 0 13 4 1 0 0 0 0 14 7 1 0 0 0 0 15 8 1 0 0 0 0 16 12 1 0 0 0 0 17 15 1 0 0 0 0 18 4 1 0 0 0 0 13 19 1 0 0 0 0 20 18 1 0 0 0 0 12 21 1 6 0 0 0 14 22 1 6 0 0 0 23 22 1 0 0 0 0 24 11 2 0 0 0 0 25 26 1 0 0 0 0 26 19 1 0 0 0 0 27 19 1 0 0 0 0 28 27 1 0 0 0 0 29 23 2 0 0 0 0 9 30 1 6 0 0 0 2 31 1 1 0 0 0 3 32 1 1 0 0 0 4 33 1 6 0 0 0 7 34 1 1 0 0 0 35 23 1 0 0 0 0 8 36 1 1 0 0 0 6 37 1 6 0 0 0 5 38 1 6 0 0 0 13 11 1 0 0 0 0 20 6 1 0 0 0 0 3 5 1 0 0 0 0 25 28 1 0 0 0 0 17 7 1 0 0 0 0 16 14 1 0 0 0 0 30 39 1 0 0 0 0 2 1 1 0 0 0 0 39 40 1 0 0 0 0 3 6 1 0 0 0 0 39 41 2 0 0 0 0 4 1 1 0 0 0 0 40 42 1 0 0 0 0 5 8 1 0 0 0 0 40 43 2 0 0 0 0 6 2 1 0 0 0 0 43 44 1 0 0 0 0 7 5 1 0 0 0 0 28 45 2 0 0 0 0 8 9 1 0 0 0 0 13 46 1 1 0 0 0 9 2 1 0 0 0 0 19 47 1 6 0 0 0 M END > CHEBI:67294 > 3-acetyl-7-tigloylvilasinin lactone > A limonoid found in Azadirachta indica. > 3 > (1S,3R,3aR,5aR,6S,6aR,9S,9aS,11aR,11bR,11cR)-3-(acetyloxy)-1-hydroxy-3a,6a,9a,11b-tetramethyl-8-oxo-9-[(3S)-5-oxotetrahydrofuran-3-yl]-1,2,3,3a,4,5a,6,6a,8,9,9a,10,11,11a,11b,11c-hexadecahydrocyclopenta[7,8]phenanthro[10,1-bc]furan-6-yl (2E)-2-methylbut-2-enoate > C33H44O9 > 584.69710 > 584.29853 > 0 > C\C=C(/C)C(=O)O[C@@H]1[C@@H]2OC[C@@]3(C)[C@H]2[C@](C)([C@@H](O)C[C@H]3OC(C)=O)[C@H]2CC[C@@]3(C)[C@H](C4COC(=O)C4)C(=O)C=C3[C@]12C > InChI=1S/C33H44O9/c1-8-16(2)29(38)42-28-26-27-31(5,15-40-26)23(41-17(3)34)13-22(36)33(27,7)20-9-10-30(4)21(32(20,28)6)12-19(35)25(30)18-11-24(37)39-14-18/h8,12,18,20,22-23,25-28,36H,9-11,13-15H2,1-7H3/b16-8+/t18-,20+,22+,23-,25-,26-,27+,28-,30-,31-,32-,33+/m1/s1 > GWJBUONEPKDYGS-PPADEWLJSA-N > 5198141 > 21381696 $$$$