null CDK 0224162156 null 31 35 0 0 0 0 0 0 0 0999 V2000 4.9279 -0.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9279 -1.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2135 -1.7771 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4990 -1.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4990 -0.5396 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2135 -0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 -0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7845 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 2.3479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 2.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6284 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 0.8555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2135 -2.6021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9279 -3.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9279 -3.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6424 -4.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6424 -5.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9279 -5.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2135 -5.0771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2135 -4.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6424 -2.6021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6424 -1.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3569 -1.3646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0714 -1.7771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0714 -2.6021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3569 -3.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 9 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 11 1 0 0 0 0 3 18 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 20 1 0 0 0 0 19 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 26 1 0 0 0 0 M END > CHEBI:93417 > (3R)-1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(diphenylmethyl)oxypiperidine > 2 > C27H29NO3 > 415.525 > 415.21474 > 0 > C1C[C@H](CN(C1)CCC2=CC3=C(C=C2)OCO3)OC(C4=CC=CC=C4)C5=CC=CC=C5 > InChI=1S/C27H29NO3/c1-3-8-22(9-4-1)27(23-10-5-2-6-11-23)31-24-12-7-16-28(19-24)17-15-21-13-14-25-26(18-21)30-20-29-25/h1-6,8-11,13-14,18,24,27H,7,12,15-17,19-20H2/t24-/m1/s1 > BDNFQGRSKSQXRI-XMMPIXPASA-N > LSM-3811 $$$$