Mrv1652309082204572D 56 59 0 0 1 0 999 V2000 0.2596 2.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0926 1.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7087 1.1721 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5417 0.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4919 1.4314 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1081 0.8828 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8225 0.1088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0094 -0.0309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -0.5255 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0645 -1.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2514 -1.4392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9658 -2.2132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1527 -2.3528 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4933 -2.8475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1631 -0.3858 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5902 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1925 -1.8144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4150 -1.0747 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8421 -1.7806 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6669 -1.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4444 -2.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6195 -2.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8128 -0.3519 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6309 -0.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9480 -1.2197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1319 0.1973 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9501 0.0911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8148 0.9589 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4079 1.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2011 1.3055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2079 2.3328 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6688 3.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1605 3.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6178 3.3628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4147 2.5597 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3362 3.3810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8274 4.0438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5857 3.7236 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5072 4.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1791 5.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1006 5.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7726 6.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5230 5.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1950 6.4594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6016 5.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9296 4.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9137 3.2449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2227 3.6956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2674 4.5194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4869 3.3224 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7173 3.6196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1968 2.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6662 2.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4421 2.4987 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6590 2.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9034 2.5707 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 3 4 1 1 0 0 0 5 3 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 12 13 2 0 0 0 0 12 14 1 0 0 0 0 9 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 4 0 0 0 16 18 1 0 0 0 0 18 19 1 1 0 0 0 19 20 1 1 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 18 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 4 0 0 0 24 26 1 0 0 0 0 26 27 1 1 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 4 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 31 35 1 1 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 38 39 1 1 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 45 46 2 0 0 0 0 40 46 1 0 0 0 0 38 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 4 0 0 0 48 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 50 54 1 1 0 0 0 54 55 1 0 0 0 0 5 55 1 0 0 0 0 55 56 2 0 0 0 0 M END > NP0260714 > NP-MRD > CC[C@H](C)[C@@H]1N=C(O)[C@H](C)N=C(O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=C(O)C=C2)N=C(O)[C@@H]2CCCN2C(=O)[C@@H](N=C(O)[C@H](CCC(O)=N)N=C1O)[C@@H](C)CC > InChI=1S/C39H58N8O9/c1-6-21(3)31-37(54)42-26(16-17-30(40)49)34(51)45-32(22(4)7-2)39(56)47-19-9-11-29(47)36(53)43-27(20-24-12-14-25(48)15-13-24)38(55)46-18-8-10-28(46)35(52)41-23(5)33(50)44-31/h12-15,21-23,26-29,31-32,48H,6-11,16-20H2,1-5H3,(H2,40,49)(H,41,52)(H,42,54)(H,43,53)(H,44,50)(H,45,51)/t21-,22-,23-,26-,27-,28-,29-,31-,32-/m0/s1 > ABLJJFBJJTYMSL-PDQUOMEKSA-N > C39H58N8O9 > 782.94 > 782.43267548 > 15 > 114 > 80.87383907906772 > 0 > 8 > 0 > 0 > 3-[(3S,6S,12S,15S,18S,21S,24S)-12,18-bis[(2S)-butan-2-yl]-5,14,17,20,23-pentahydroxy-3-[(4-hydroxyphenyl)methyl]-21-methyl-2,11-dioxo-1,4,10,13,16,19,22-heptaazatricyclo[22.3.0.0^{6,10}]heptacosa-4,13,16,19,22-pentaen-15-yl]propanimidic acid > 1.9075845815606538 > 1 > 4 > 0 > 3.2841827193526463 > -0.5757142482552613 > 12.689227091925824 > 267.88 > 216.41080000000002 > 9 > 0 > 3-[(3S,6S,12S,15S,18S,21S,24S)-12,18-bis[(2S)-butan-2-yl]-5,14,17,20,23-pentahydroxy-3-[(4-hydroxyphenyl)methyl]-21-methyl-2,11-dioxo-1,4,10,13,16,19,22-heptaazatricyclo[22.3.0.0^{6,10}]heptacosa-4,13,16,19,22-pentaen-15-yl]propanimidic acid > 0 > NP0260714 > 3-[(3s,6s,12s,15s,18s,21s,24s)-12,18-bis[(2s)-butan-2-yl]-5,14,17,20,23-pentahydroxy-3-[(4-hydroxyphenyl)methyl]-21-methyl-2,11-dioxo-1,4,10,13,16,19,22-heptaazatricyclo[22.3.0.0⁶,¹⁰]heptacosa-4,13,16,19,22-pentaen-15-yl]propanimidic acid $$$$