39 44 0 0 1 0 0 0 0 0999 V2000 18.7633 -19.4656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7633 -20.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9762 -21.5665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1892 -20.8662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1892 -19.4656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9762 -18.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5212 -21.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.3445 -20.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5212 -19.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7374 -20.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3070 -18.7400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.4838 -17.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0909 -17.7533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5606 -21.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9536 -21.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5232 -19.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7000 -18.5936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7768 -22.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1697 -21.9929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7394 -20.7134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.9161 -19.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9994 -23.1351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.2153 -23.4008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9156 -24.6138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2537 -17.3491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3750 -21.3718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.2536 -19.7937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.4768 -23.3517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 31.6094 -23.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.3319 -24.6671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.7319 -24.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.4321 -23.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.7096 -22.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.3096 -22.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.4319 -25.8798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.4096 -20.9906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.8321 -23.4551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.6096 -20.9903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.8319 -25.8798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 2 0 0 0 3 4 1 0 0 0 4 5 2 0 0 0 5 6 1 0 0 0 1 6 2 0 0 0 4 7 1 0 0 0 7 8 1 0 0 0 8 9 2 0 0 0 5 9 1 0 0 0 8 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 9 13 1 0 0 0 10 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 11 17 1 0 0 0 15 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 16 21 2 0 0 0 19 22 1 1 0 0 18 23 1 0 0 0 23 24 2 0 0 0 17 25 2 0 0 0 10 26 1 6 0 0 15 27 1 1 0 0 18 28 1 1 0 0 29 22 1 1 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 29 34 1 0 0 0 31 35 1 1 0 0 33 36 1 1 0 0 32 37 1 6 0 0 34 38 1 6 0 0 35 39 1 0 0 0 M END > CHEBI:80684 > Strictosamide > 2 > C26H30N2O8 > 498.52500 > 498.20022 > 0 > OC[C@H]1O[C@@H](O[C@@H]2OC=C3[C@@H](C[C@@H]4N(CCc5c4[nH]c4ccccc54)C3=O)[C@H]2C=C)[C@H](O)[C@@H](O)[C@@H]1O > InChI=1S/C26H30N2O8/c1-2-12-15-9-18-20-14(13-5-3-4-6-17(13)27-20)7-8-28(18)24(33)16(15)11-34-25(12)36-26-23(32)22(31)21(30)19(10-29)35-26/h2-6,11-12,15,18-19,21-23,25-27,29-32H,1,7-10H2/t12-,15+,18+,19-,21-,22+,23-,25+,26+/m1/s1 > LBRPLJCNRZUXLS-IUNANRIWSA-N > C16724 $$$$