Mrv1652309092203012D 52 55 0 0 1 0 999 V2000 3.6516 4.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8455 4.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5945 5.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2903 3.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5413 2.8723 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9862 2.2620 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2153 2.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0842 3.3703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5754 2.0350 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1956 2.3288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3266 3.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0975 3.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3133 3.6641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7064 1.2205 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 0.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7225 1.2064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0042 -0.0240 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7062 -0.4436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4247 -0.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1350 -0.4577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8535 -0.0523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8617 0.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5802 1.1781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1514 1.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4328 0.7868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7227 -0.4294 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6078 -1.2464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1571 -1.5554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2579 -1.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0229 -1.4454 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5900 -2.0445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3546 -2.8353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3924 -1.8530 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9595 -2.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7242 -3.2429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6278 -1.0623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4498 -0.9925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9213 -1.6695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8004 -0.2457 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5900 -0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6065 0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0593 1.0651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3289 0.4313 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7869 1.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5864 1.3210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4216 1.8573 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7269 2.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0923 3.1509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6270 2.6864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5984 1.9108 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3474 2.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6868 3.4486 0.0000 O 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 2 4 1 0 0 0 0 5 4 1 1 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 4 0 0 0 7 9 1 0 0 0 0 9 10 1 1 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 9 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 4 0 0 0 15 17 1 0 0 0 0 17 18 1 1 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 19 25 1 0 0 0 0 17 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 4 0 0 0 27 29 1 0 0 0 0 30 29 1 4 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 33 34 1 1 0 0 0 34 35 1 0 0 0 0 33 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 4 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 39 43 1 1 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 46 50 1 1 0 0 0 50 51 1 0 0 0 0 5 51 1 0 0 0 0 51 52 2 0 0 0 0 M END > NP0276743 > NP-MRD > CC(C)C[C@@H]1N=C(O)[C@H](CC2=CC=C(O)C=C2)N=C(O)CN=C(O)[C@H](CO)N=C(O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)N=C1O > InChI=1S/C36H53N7O9/c1-20(2)15-24-32(48)40-26(16-21(3)4)35(51)43-14-6-8-29(43)36(52)42-13-5-7-28(42)34(50)41-27(19-44)31(47)37-18-30(46)38-25(33(49)39-24)17-22-9-11-23(45)12-10-22/h9-12,20-21,24-29,44-45H,5-8,13-19H2,1-4H3,(H,37,47)(H,38,46)(H,39,49)(H,40,48)(H,41,50)/t24-,25-,26-,27-,28-,29-/m0/s1 > DROIPXHPSJWVHD-AQRCPPRCSA-N > C36H53N7O9 > 727.86 > 727.390476315 > 14 > 105 > 75.49009572300132 > 0 > 7 > 0 > 0 > (3S,9S,12S,15S,21S,24S)-11,14,17,20,23-pentahydroxy-21-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-9,12-bis(2-methylpropyl)-1,7,10,13,16,19,22-heptaazatricyclo[22.3.0.0^{3,7}]heptacosa-10,13,16,19,22-pentaene-2,8-dione > 2.7812371584333015 > 1 > 4 > 0 > 3.5896716628697893 > 3.080425997714526 > 1.5182963491778214 > 244.03 > 190.06540000000004 > 7 > 0 > (3S,9S,12S,15S,21S,24S)-11,14,17,20,23-pentahydroxy-21-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-9,12-bis(2-methylpropyl)-1,7,10,13,16,19,22-heptaazatricyclo[22.3.0.0^{3,7}]heptacosa-10,13,16,19,22-pentaene-2,8-dione > 0 > NP0276743 > (3s,9s,12s,15s,21s,24s)-11,14,17,20,23-pentahydroxy-21-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-9,12-bis(2-methylpropyl)-1,7,10,13,16,19,22-heptaazatricyclo[22.3.0.0³,⁷]heptacosa-10,13,16,19,22-pentaene-2,8-dione $$$$