null CDK 0224162200 null 39 40 0 0 0 0 0 0 0 0999 V2000 1.8783 -2.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5928 -2.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3073 -2.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0217 -2.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7362 -2.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4507 -2.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4507 -3.6004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2259 -3.8826 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6384 -4.5970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4952 -5.4095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8632 -5.9398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1454 -6.7150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0382 -5.9398 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4062 -5.4095 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2629 -4.5970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6754 -3.8826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1451 -3.2506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6917 -5.8220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7560 -6.7150 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2863 -7.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0988 -7.2038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0042 -8.1223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5344 -8.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2523 -9.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4398 -9.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9095 -9.0408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1917 -8.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7826 -10.1615 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5004 -10.9367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0307 -11.5687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3469 -8.6110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4509 -4.4538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7562 -3.2506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4741 -2.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6616 -2.3321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0044 -1.8433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7222 -1.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9097 -0.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2525 -0.4361 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 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 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 7 1 0 0 0 0 16 17 2 0 0 0 0 14 18 1 1 0 0 0 13 19 1 1 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 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 26 1 0 0 0 0 26 27 2 0 0 0 0 27 22 1 0 0 0 0 24 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 23 31 1 0 0 0 0 9 32 1 6 0 0 0 8 33 1 1 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 M END > CHEBI:94396 > 3-methylbutanoic acid [(2R,3S,6S,7R)-3-[[(3-formamido-2-hydroxyphenyl)-oxomethyl]amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] ester > 2 > C28H40N2O9 > 548.626 > 548.27338 > 0 > CCCCCCC1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)OC(=O)CC(C)C > InChI=1S/C28H40N2O9/c1-6-7-8-9-11-20-25(39-22(32)14-16(2)3)18(5)38-28(36)23(17(4)37-27(20)35)30-26(34)19-12-10-13-21(24(19)33)29-15-31/h10,12-13,15-18,20,23,25,33H,6-9,11,14H2,1-5H3,(H,29,31)(H,30,34)/t17-,18+,20?,23+,25+/m1/s1 > UIFFUZWRFRDZJC-RBVQMQRASA-N > LSM-5076 $$$$