Mrv1652304282217552D 30 35 0 0 1 0 999 V2000 2.1278 -0.2780 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7799 -0.2805 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8408 -0.6960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7447 -1.6536 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2120 -1.2600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0094 -1.8086 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6975 -2.4563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6470 -1.9343 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0650 -1.1485 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5456 -0.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6771 -0.5378 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6033 -1.3512 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1434 -2.1434 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1651 -3.0071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7331 -3.6553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9034 0.3018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9263 -1.0845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3901 -0.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3456 -0.7627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4875 -1.3905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2667 -0.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8695 -1.6652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7851 -0.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4206 -0.2396 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0005 -2.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6692 -3.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1644 -3.9858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2389 0.2690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4925 0.8499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8725 0.6118 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 4 3 1 6 0 0 0 5 4 1 6 0 0 0 1 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 1 0 0 0 8 7 1 1 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 2 11 1 0 0 0 0 11 12 1 0 0 0 0 12 6 1 1 0 0 0 12 13 1 0 0 0 0 8 13 1 0 0 0 0 13 14 1 6 0 0 0 14 15 1 0 0 0 0 11 16 1 6 0 0 0 9 17 1 6 0 0 0 17 18 1 0 0 0 0 5 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 4 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 1 24 1 6 0 0 0 22 25 1 6 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 19 28 1 6 0 0 0 28 29 1 0 0 0 0 2 30 1 6 0 0 0 M END > NP0070540 > NP-MRD > COC[C@@]12CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)(C[C@H]13)[C@H]4N=C2 > InChI=1S/C23H35NO6/c1-27-11-20-6-5-16(29-3)23-13-7-12-14(28-2)8-21(25,17(13)18(12)30-4)22(26,9-15(20)23)19(23)24-10-20/h10,12-19,25-26H,5-9,11H2,1-4H3/t12-,13-,14+,15-,16+,17-,18+,19-,20+,21-,22-,23-/m1/s1 > IXHBOAYWCCKXEL-KJJIZPFLSA-N > C23H35NO6 > 421.534 > 421.246437851 > 7 > 65 > 45.616134294619954 > 1 > 2 > 0 > 0 > (1S,2R,3R,4S,5R,6S,8R,9R,10S,13S,16S,17R)-4,6,16-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadec-11-ene-8,9-diol > 0.28 > -0.9534296526666672 > -3.73 > 0 > 6 > 0 > 14.155995062059382 > 12.722262001399269 > 5.5287717950803765 > 89.74000000000001 > 108.526 > 5 > 1 > 7.91e-02 g/l > (1S,2R,3R,4S,5R,6S,8R,9R,10S,13S,16S,17R)-4,6,16-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadec-11-ene-8,9-diol > 0 > NP0070540 > (+)-Tongolenine C $$$$