null CDK 0224162316 null 26 29 0 0 0 0 0 0 0 0999 V2000 -6.4725 -4.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1870 -4.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1870 -5.3354 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.4725 -5.7479 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.2590 -6.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6715 -7.2592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4684 -7.4728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1828 -7.0603 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.3964 -6.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9839 -5.5489 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.8373 -7.5625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7580 -5.3354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7580 -4.5104 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0435 -4.0979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0435 -3.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7580 -2.8604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3291 -2.8604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3291 -2.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6146 -1.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9001 -2.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1857 -1.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4712 -2.0354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4712 -2.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1857 -3.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9001 -2.8604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6146 -3.2729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 6 0 0 0 3 4 1 0 0 0 0 4 5 1 1 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 3 1 0 0 0 0 8 11 1 6 0 0 0 4 12 1 0 0 0 0 12 13 1 0 0 0 0 13 1 1 0 0 0 0 13 14 1 1 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 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 25 26 1 0 0 0 0 26 17 1 0 0 0 0 M END > CHEBI:101387 > 2-[(3R,6aR,8S,10aR)-3-hydroxy-1,2,3,4,6,6a,8,9,10,10a-decahydropyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone > 2 > C20H28N2O4 > 360.448 > 360.20491 > 0 > C1C[C@@H]2[C@H](COC[C@@H](CN2)O)O[C@@H]1CC(=O)N3CCC4=CC=CC=C4C3 > InChI=1S/C20H28N2O4/c23-16-10-21-18-6-5-17(26-19(18)13-25-12-16)9-20(24)22-8-7-14-3-1-2-4-15(14)11-22/h1-4,16-19,21,23H,5-13H2/t16-,17+,18-,19+/m1/s1 > MNYFKSZVIZZWBR-HCXYKTFWSA-N > LSM-12750 $$$$