Mrv0541 04141512512D 50 55 0 0 0 0 999 V2000 -0.8375 -10.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1255 -9.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5865 -10.3208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5830 -11.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2918 -11.5591 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0086 -11.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0121 -10.3269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2988 -9.9091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1255 -11.5542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8375 -11.1458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1192 -12.3727 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8667 -12.0667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5463 -11.5562 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2542 -11.9661 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2555 -12.7881 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5426 -13.1986 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8284 -12.7870 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8500 -12.0708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8365 -13.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5424 -14.0236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9686 -11.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1375 -10.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6832 -11.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3976 -11.5533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6833 -12.7909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3974 -10.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8185 -13.6120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2872 -12.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1292 -12.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7207 -11.5684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3023 -9.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9711 -8.6049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7184 -7.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8934 -7.8172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6363 -8.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 -9.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2568 -14.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2566 -15.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9714 -14.0239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9710 -15.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9709 -16.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5421 -15.6736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5979 -12.7806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9993 -12.8006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9946 -13.6255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7161 -12.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6032 -13.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3203 -14.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1086 -14.0226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 -10.5583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21 23 1 0 0 0 0 9 11 1 0 0 0 0 23 24 1 0 0 0 0 10 13 1 0 0 0 0 23 25 2 0 0 0 0 17 11 1 0 0 0 0 24 26 1 0 0 0 0 12 13 1 0 0 0 0 17 27 1 6 0 0 0 9 4 2 0 0 0 0 5 28 1 6 0 0 0 3 2 1 0 0 0 0 12 29 1 6 0 0 0 3 4 1 0 0 0 0 6 30 2 0 0 0 0 31 32 2 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 35 31 1 0 0 0 0 8 31 1 6 0 0 0 14 15 1 0 0 0 0 3 36 1 6 0 0 0 15 16 1 0 0 0 0 20 37 1 0 0 0 0 16 17 1 0 0 0 0 37 38 1 0 0 0 0 6 7 1 0 0 0 0 37 39 2 0 0 0 0 15 18 1 6 0 0 0 38 40 2 0 0 0 0 12 18 1 6 0 0 0 40 41 1 0 0 0 0 7 8 1 0 0 0 0 38 42 1 0 0 0 0 15 19 1 6 0 0 0 11 43 1 6 0 0 0 9 10 1 0 0 0 0 28 44 1 0 0 0 0 16 20 1 1 0 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 14 21 1 6 0 0 0 43 47 1 0 0 0 0 1 10 1 0 0 0 0 47 48 1 0 0 0 0 13 22 1 6 0 0 0 47 49 2 0 0 0 0 1 2 1 0 0 0 0 10 50 1 6 0 0 0 M END > CHEBI:68364 > trichagmalin D > A limonoid with a phragmalin skeleton isolated from the leaves of Trichilia connaroides. > 3 > (1R,4R,5S,6S,6aR,8R,9S,9aS,9bS,11aR,12S)-4,5-bis(acetyloxy)-1-(furan-3-yl)-6,6a-dihydroxy-9-(2-methoxy-2-oxoethyl)-8,9a,11a-trimethyl-3-oxo-1,3,4,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-6,8-methanoindeno[5,4-f]isochromen-12-yl (2E)-2-methylbut-2-enoate > C36H44O13 > 684.72680 > 684.27819 > 0 > COC(=O)C[C@H]1[C@@]2(C)C[C@@]3(O)[C@]1(C)[C@H]1CC[C@@]4(C)[C@@H](OC(=O)[C@H](OC(C)=O)C4=C1[C@H](OC(C)=O)[C@@]3(O)[C@H]2OC(=O)C(\C)=C\C)c1ccoc1 > InChI=1S/C36H44O13/c1-9-17(2)29(40)49-31-33(6)16-35(42)34(7,22(33)14-23(39)44-8)21-10-12-32(5)25(24(21)28(36(31,35)43)47-19(4)38)26(46-18(3)37)30(41)48-27(32)20-11-13-45-15-20/h9,11,13,15,21-22,26-28,31,42-43H,10,12,14,16H2,1-8H3/b17-9+/t21-,22-,26+,27-,28-,31-,32+,33+,34+,35+,36+/m0/s1 > MYVFKKIXMOXVPS-KLCWGGGHSA-N > 21299040 > 21268637 $$$$