CDK 1028232201 74 77 0 0 0 0 0 0 0 0999 V2000 12.2589 0.7105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9717 0.3143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6693 0.7059 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9603 -0.4363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2792 0.2541 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9514 1.4811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6078 -0.9961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8456 -0.4788 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1853 -0.6208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0033 0.6593 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7759 1.4524 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7482 -1.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5238 0.0067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1523 -1.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6447 -1.1112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3162 -0.7334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7786 0.3771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2838 2.1025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2512 -0.6043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5885 -1.9573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9622 -1.4727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9044 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2387 -2.4652 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8039 -2.2122 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5033 -0.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2310 -2.2528 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1008 0.1380 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9531 -2.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6324 -3.0192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1908 -1.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9197 1.0156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4311 -0.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6946 -2.4144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8660 -1.2646 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4062 -1.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7057 0.0227 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0479 -0.9716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3168 -0.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7931 -1.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2347 -2.7221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7746 0.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7263 -0.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0478 -0.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6958 0.1386 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0085 -1.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4501 -2.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2882 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1245 1.3309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5363 1.0819 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8791 -0.3235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1262 0.4708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9012 0.9319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8369 -2.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2882 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5737 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9501 0.5900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0523 -2.6800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8592 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4104 -0.1168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2456 1.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4303 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 1 0 0 0 3 6 1 0 0 0 0 4 7 1 6 0 0 0 8 4 1 0 0 0 0 5 9 1 0 0 0 0 10 5 1 0 0 0 0 11 6 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 6 0 0 0 8 14 1 0 0 0 0 9 15 2 0 0 0 0 9 16 1 0 0 0 0 10 17 1 6 0 0 0 11 18 1 6 0 0 0 12 19 2 0 0 0 0 20 12 1 0 0 0 0 14 21 1 0 0 0 0 16 22 1 0 0 0 0 20 23 1 1 0 0 0 24 20 1 0 0 0 0 21 25 2 0 0 0 0 21 26 1 0 0 0 0 27 22 1 0 0 0 0 23 28 1 0 0 0 0 24 29 1 6 0 0 0 24 30 1 0 0 0 0 27 31 1 1 0 0 0 27 32 1 0 0 0 0 28 33 2 0 0 0 0 34 28 1 0 0 0 0 30 35 1 0 0 0 0 36 32 1 0 0 0 0 34 37 1 1 0 0 0 34 38 1 0 0 0 0 35 39 2 0 0 0 0 35 40 1 0 0 0 0 36 41 1 6 0 0 0 36 42 1 0 0 0 0 37 43 1 0 0 0 0 37 44 1 0 0 0 0 45 38 1 0 0 0 0 39 46 1 0 0 0 0 40 47 2 0 0 0 0 41 48 1 0 0 0 0 42 49 2 0 0 0 0 42 50 1 0 0 0 0 43 51 2 0 0 0 0 52 43 1 0 0 0 0 45 53 1 6 0 0 0 46 54 2 0 0 0 0 48 55 2 0 0 0 0 48 56 1 0 0 0 0 57 52 1 0 0 0 0 54 58 1 0 0 0 0 56 59 1 0 0 0 0 57 60 1 1 0 0 0 57 61 1 0 0 0 0 59 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 68 70 1 0 0 0 0 69 71 1 0 0 0 0 71 72 1 0 0 0 0 71 73 1 0 0 0 0 72 74 1 0 0 0 0 10 11 1 0 0 0 0 44 45 1 0 0 0 0 47 54 1 0 0 0 0 52 50 1 1 0 0 0 M END > CHEBI:198121 > L-691936 > 2 > N-[(3S,6S,9S,11R,15S,18S,20R,24S,25S,26S)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-11,20,25-trihydroxy-15-[(1R)-1-hydroxyethyl]-6-[(1R)-1-hydroxy-2-(4-hydroxyphenyl)ethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide > C51H82N8O15 > 1047.258 > 1046.58996 > 0 > O=C1N2[C@H](C(=O)NC[C@H](O)C[C@H](NC(=O)CCCCCCCCC(CC(CC)C)C)C(=O)N[C@H](C(N3[C@H](C(N[C@H](C(N[C@H]1[C@H](O)CC(=O)N)=O)[C@H](O)CC4=CC=C(O)C=C4)=O)C[C@@H](O)C3)=O)[C@H](O)C)[C@@H](O)[C@H](C2)C > InChI=1S/C51H82N8O15/c1-6-27(2)19-28(3)13-11-9-7-8-10-12-14-40(67)54-35-21-33(62)24-53-49(72)44-45(68)29(4)25-59(44)51(74)43(38(65)23-39(52)66)57-48(71)42(37(64)20-31-15-17-32(61)18-16-31)56-47(70)36-22-34(63)26-58(36)50(73)41(30(5)60)55-46(35)69/h15-18,27-30,33-38,41-45,60-65,68H,6-14,19-26H2,1-5H3,(H2,52,66)(H,53,72)(H,54,67)(H,55,69)(H,56,70)(H,57,71)/t27?,28?,29-,30+,33+,34+,35-,36-,37+,38+,41-,42-,43-,44-,45-/m0/s1 > PMBUXEBEPGKBPM-GJNUVZHBSA-N $$$$