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0 0 0 0 0 0 0 1.6543 -0.4761 3.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4966 1.5071 2.4722 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2578 2.3724 1.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1654 3.8271 2.0044 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3056 4.6525 1.1751 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8661 5.7748 1.6366 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8812 4.3196 -0.1791 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1399 5.2558 -1.3464 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2523 3.1923 -0.4908 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2532 2.5431 0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7645 3.2242 0.8342 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6210 4.0525 -0.0689 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9043 5.3676 0.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9876 4.3819 -1.2487 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8888 3.3264 -0.4445 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9210 4.2560 -0.3331 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1500 2.0750 0.3505 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4650 2.3171 1.1092 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3597 0.8444 -0.4680 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9513 1.0292 -1.8064 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6421 -0.3916 0.0460 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1813 -0.6289 1.4281 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7701 -1.5313 -0.8908 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8009 -2.4376 -0.5888 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9391 -2.6945 -1.2753 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9320 -3.7094 -0.7895 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1240 -2.0583 -2.3167 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4951 -2.1838 -1.3311 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8964 -3.3782 -2.2056 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1607 1.7407 0.8354 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0325 2.3352 0.0167 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1872 -5.7974 0.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5880 -4.7607 0.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0569 -4.4253 1.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9604 -2.5770 0.7586 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6840 -0.8885 0.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2661 -1.5293 -1.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7905 -6.0865 0.6209 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2687 -5.9828 -0.2839 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3033 -5.7248 1.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2170 -1.5470 -1.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3236 -3.1016 -1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8493 -1.7146 -2.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5346 0.3601 -1.6854 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6860 1.7166 3.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6796 4.4535 2.7533 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4599 5.1588 -2.1683 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1621 5.0148 -1.7254 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1189 6.2842 -0.8819 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5449 2.7319 -1.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3269 1.4567 0.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0344 3.2217 1.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3013 5.1938 1.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5570 6.0247 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9346 5.9427 0.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3399 3.8826 -2.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8952 3.0259 -1.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9358 4.6328 0.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3066 1.9275 1.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1372 3.0007 0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2650 2.7188 2.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0680 1.3728 1.1724 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4391 0.5556 -0.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7156 1.2412 -2.3973 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5795 -0.1096 0.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5853 -1.3514 2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2667 -0.8660 1.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0752 0.3258 1.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1584 -1.0930 -1.8453 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0026 -4.5243 -1.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6188 -4.1433 0.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9270 -3.2808 -0.6648 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9021 -1.5432 -2.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6066 -3.0613 -2.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2301 -4.2282 -1.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9664 -3.7070 -2.7555 H 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 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 1 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 16 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 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 6 0 0 0 32 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 47 2 0 0 0 0 43 48 1 0 0 0 0 48 49 1 0 0 0 0 23 50 1 0 0 0 0 50 51 2 0 0 0 0 48 3 1 0 0 0 0 18 7 1 0 0 0 0 17 10 1 0 0 0 0 50 15 1 0 0 0 0 1 52 1 0 0 0 0 1 53 1 0 0 0 0 1 54 1 0 0 0 0 3 55 1 1 0 0 0 4 56 1 0 0 0 0 5 57 1 0 0 0 0 8 58 1 0 0 0 0 8 59 1 0 0 0 0 8 60 1 0 0 0 0 12 61 1 0 0 0 0 12 62 1 0 0 0 0 12 63 1 0 0 0 0 14 64 1 0 0 0 0 22 65 1 0 0 0 0 24 66 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 28 69 1 0 0 0 0 29 70 1 0 0 0 0 30 71 1 0 0 0 0 31 72 1 0 0 0 0 33 73 1 0 0 0 0 33 74 1 0 0 0 0 33 75 1 0 0 0 0 34 76 1 0 0 0 0 35 77 1 6 0 0 0 36 78 1 0 0 0 0 37 79 1 1 0 0 0 38 80 1 0 0 0 0 38 81 1 0 0 0 0 38 82 1 0 0 0 0 39 83 1 6 0 0 0 40 84 1 0 0 0 0 41 85 1 1 0 0 0 42 86 1 0 0 0 0 42 87 1 0 0 0 0 42 88 1 0 0 0 0 43 89 1 6 0 0 0 46 90 1 0 0 0 0 46 91 1 0 0 0 0 46 92 1 0 0 0 0 48 93 1 6 0 0 0 49 94 1 0 0 0 0 49 95 1 0 0 0 0 49 96 1 0 0 0 0 M END > NP0165938 > NP-MRD > [H]OC1=C2C(=O)C3=C([H])C(=O)C2=C2C(O[C@](O\C([H])=C([H])/[C@]([H])(OC([H])([H])[H])[C@@]([H])(C([H])([H])[H])[C@@]([H])(OC(=O)C([H])([H])[H])[C@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@](O[H])(\C([H])=C(\[H])/C(/[H])=C(\C(=O)N3[H])C([H])([H])[H])C([H])([H])[H])(C2=O)C([H])([H])[H])=C1C([H])([H])[H] > InChI=1S/C37H45NO13/c1-16-11-10-13-36(7,47)33(44)20(5)28(41)18(3)31(50-21(6)39)17(2)24(48-9)12-14-49-37(8)34(45)27-25-23(40)15-22(38-35(16)46)30(43)26(25)29(42)19(4)32(27)51-37/h10-15,17-18,20,24,28,31,33,41-42,44,47H,1-9H3,(H,38,46)/b13-10-,14-12-,16-11-/t17-,18-,20+,24+,28+,31-,33-,36-,37+/m1/s1 > JNENPBGVIMPKJY-DOKRCRSASA-N > C37H45NO13 > 711.761 > 711.289090513 > 12 > 96 > 71.9006868795197 > 0 > 5 > 0 > 0 > (7S,9Z,11S,12R,13S,14R,15R,16S,17R,18R,19Z,21Z)-2,15,17,18-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,25-heptaen-13-yl acetate > 2.55 > 2.3849751213333326 > -4.47 > 0 > 4 > -1 > 12.391729563940082 > 6.832690237741866 > -2.9987375991382885 > 215.21999999999994 > 187.09120000000001 > 3 > 0 > 2.43e-02 g/l > (7S,9Z,11S,12R,13S,14R,15R,16S,17R,18R,19Z,21Z)-2,15,17,18-tetrahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.1^{4,7}.0^{5,28}]triaconta-1,3,5(28),9,19,21,25-heptaen-13-yl acetate > 0 > NP0165938 > (7s,9e,11s,12r,13s,14r,15r,16s,17r,18r,19e,21e)-2,15,17,18,23-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,27,29-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1⁴,⁷.0⁵,²⁸]triaconta-1,3,5(28),9,19,21,23,25-octaen-13-yl acetate $$$$