Mrv1652306212101213D 70 72 0 0 0 0 999 V2000 -0.3848 4.0244 -0.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3148 2.7240 -0.4347 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3599 1.7421 -1.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1689 0.4808 -1.6678 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6277 -0.7877 -1.2287 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8229 -1.2609 -2.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2381 -0.5139 -3.2395 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5076 -2.3490 -1.5898 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2282 -3.1651 -0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2347 -2.6965 0.8327 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8834 -3.4980 1.9791 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6342 -3.0407 3.2171 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6494 -1.6101 3.7213 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5757 -1.5229 4.9394 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2121 -1.1614 4.0592 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1440 0.1840 4.6069 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1346 1.3616 3.9831 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2175 2.3848 4.6656 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3158 1.4133 2.4894 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7623 1.3246 2.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5301 0.5087 2.5989 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3182 2.1697 0.9823 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7154 2.7332 -0.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7018 -1.5936 -1.3647 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0350 -2.2403 -2.6623 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2169 -2.8470 -2.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3206 -3.0573 -1.8571 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9356 -4.2943 -2.2458 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4152 -1.9681 -1.8496 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9349 -1.7473 -3.1745 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0216 -0.6371 -1.1944 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1332 0.2629 -1.2829 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7908 0.0342 -1.8162 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9145 0.7863 -2.7926 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4318 -0.2414 -1.1063 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2662 4.2814 0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4599 3.9797 -0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0317 4.8426 -0.7001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4171 1.9064 -1.2674 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2289 0.6105 -2.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9048 -0.6667 -0.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4888 0.5229 -2.9966 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4368 -0.5174 -3.9843 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1211 -0.9594 -3.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3427 -2.7127 -2.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0130 -4.2116 -0.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4970 -1.6568 1.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7927 -4.5708 1.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3663 -3.7879 3.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0515 -0.9287 2.9648 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1938 -2.1157 5.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6828 -0.4878 5.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5788 -1.8911 4.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2258 -1.8224 4.8169 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4241 -1.2222 3.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 0.2873 5.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1137 2.3672 2.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2481 0.6213 1.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4003 2.2751 1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3401 3.3134 -0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8158 -2.3099 -0.5397 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3302 -2.1812 -3.4873 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4087 -3.2496 -3.8512 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9201 -3.2034 -0.8484 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4524 -4.6144 -1.4858 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2769 -2.3590 -1.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9927 -2.6288 -3.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8249 -0.7875 -0.1277 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2853 0.3601 -2.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5444 -0.1360 -0.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 19 17 1 0 0 0 0 31 29 1 0 0 0 0 17 16 1 0 0 0 0 29 27 1 0 0 0 0 5 6 1 0 0 0 0 35 4 1 0 0 0 0 6 8 2 0 0 0 0 4 5 1 0 0 0 0 8 9 1 0 0 0 0 5 24 1 0 0 0 0 9 10 2 0 0 0 0 27 26 1 0 0 0 0 10 11 1 0 0 0 0 4 3 1 0 0 0 0 11 12 2 0 0 0 0 26 25 2 0 0 0 0 12 13 1 0 0 0 0 3 2 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 17 18 2 0 0 0 0 2 23 1 0 0 0 0 20 21 2 0 0 0 0 35 33 1 0 0 0 0 2 1 1 0 0 0 0 23 22 2 0 0 0 0 6 7 1 0 0 0 0 24 35 1 0 0 0 0 13 14 1 0 0 0 0 22 20 1 0 0 0 0 33 34 2 0 0 0 0 31 32 1 0 0 0 0 20 19 1 0 0 0 0 29 30 1 0 0 0 0 33 31 1 0 0 0 0 27 28 1 0 0 0 0 24 25 1 0 0 0 0 31 68 1 1 0 0 0 29 66 1 1 0 0 0 27 64 1 1 0 0 0 26 63 1 0 0 0 0 25 62 1 0 0 0 0 24 61 1 1 0 0 0 35 70 1 1 0 0 0 4 40 1 6 0 0 0 5 41 1 1 0 0 0 3 39 1 0 0 0 0 23 60 1 0 0 0 0 22 59 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 16 56 1 0 0 0 0 8 45 1 0 0 0 0 9 46 1 0 0 0 0 10 47 1 0 0 0 0 11 48 1 0 0 0 0 12 49 1 0 0 0 0 13 50 1 6 0 0 0 15 54 1 0 0 0 0 15 55 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 7 44 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 14 53 1 0 0 0 0 32 69 1 0 0 0 0 30 67 1 0 0 0 0 28 65 1 0 0 0 0 M END > NP0041443 > NP-MRD > [H]O[C@]1([H])\C([H])=C([H])/[C@@]2([H])[C@@]([H])(C(=O)[C@]([H])(O[H])[C@]1([H])O[H])[C@]1([H])\C([H])=C(/C(/[H])=C([H])\C(=O)C([H])([H])C(=O)N([H])C([H])([H])[C@@]([H])(\C([H])=C(\[H])/C(/[H])=C(\[H])/C(/[H])=C(C([H])([H])[H])\[C@@]21[H])C([H])([H])[H])\C([H])([H])[H] > InChI=1S/C28H35NO6/c1-16-9-10-19(30)14-23(32)29-15-17(2)7-5-4-6-8-18(3)24-20-11-12-22(31)26(33)28(35)27(34)25(20)21(24)13-16/h4-13,17,20-22,24-26,28,31,33,35H,14-15H2,1-3H3,(H,29,32)/b6-4+,7-5-,10-9-,12-11-,16-13-,18-8-/t17-,20-,21-,22-,24+,25-,26-,28-/m1/s1 > JJPNUGKSPSWMDS-JHLNXFGESA-N > C28H35NO6 > 481.589 > 481.246437851 > 6 > 70 > 51.77336488513612 > 1 > 4 > 0 > 0 > (1R,2Z,4Z,11R,12Z,14E,16Z,18S,19R,20Z,22R,23R,24R,26R)-22,23,24-trihydroxy-3,11,17-trimethyl-9-azatricyclo[16.8.0.0^{19,26}]hexacosa-2,4,12,14,16,20-hexaene-6,8,25-trione > 2.21 > 1.7830935833333341 > -3.97 > 0 > 3 > 0 > 12.049287148551377 > 11.35457551957014 > -3.2770901799817884 > 123.93 > 140.1985 > 0 > 1 > 5.16e-02 g/l > (1R,2Z,4Z,11R,12Z,14E,16Z,18S,19R,20Z,22R,23R,24R,26R)-22,23,24-trihydroxy-3,11,17-trimethyl-9-azatricyclo[16.8.0.0^{19,26}]hexacosa-2,4,12,14,16,20-hexaene-6,8,25-trione > 0 > NP0041443 > tripartilactam $$$$