Mrv1652309122216412D 45 49 0 0 1 0 999 V2000 -5.7285 -5.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4176 -4.9372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6004 -4.8244 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2895 -4.0602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4723 -3.9473 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1614 -3.1831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3441 -3.0703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0332 -2.3061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5396 -1.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2160 -2.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9051 -1.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0879 -1.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4185 -1.9676 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2328 -2.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0698 -1.4612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9249 -2.6189 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6955 -3.4114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3784 -3.8744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0297 -3.3680 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2274 -4.1690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7494 -2.5921 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2812 -1.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0934 -2.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3737 -2.8825 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1858 -3.0277 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9055 -2.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7176 -2.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5297 -2.5422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8100 -3.3182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6221 -3.4634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2782 -3.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9917 -4.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9942 -4.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4661 -3.8037 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9343 -4.4344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2146 -5.2103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1221 -4.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8418 -3.5132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5309 -4.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9659 -4.5987 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1487 -4.4858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2768 -5.3628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7704 -6.0142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0940 -5.4757 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4049 -6.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 1 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 1 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 1 0 0 0 13 15 1 1 0 0 0 16 13 1 6 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 1 0 0 0 19 21 1 0 0 0 0 16 21 1 0 0 0 0 21 22 1 6 0 0 0 22 23 1 0 0 0 0 24 23 1 6 0 0 0 24 25 1 0 0 0 0 25 26 1 6 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 6 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 34 31 1 6 0 0 0 25 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 1 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 24 38 1 0 0 0 0 19 38 1 0 0 0 0 38 39 1 6 0 0 0 5 40 1 0 0 0 0 40 41 1 6 0 0 0 40 42 1 0 0 0 0 42 43 1 1 0 0 0 42 44 1 0 0 0 0 3 44 1 0 0 0 0 44 45 1 6 0 0 0 M END > NP0329873 > NP-MRD > CO[C@H]1O[C@@H](OC\C(C)=C\CC[C@](C)(O)[C@H]2CC[C@]3(C)[C@H]2CC[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4[C@@H](O)C[C@@]32C)[C@H](O)[C@@H](O)[C@@H]1O > InChI=1S/C36H62O9/c1-20(19-44-31-28(41)26(39)27(40)30(43-8)45-31)10-9-15-36(7,42)22-13-17-34(5)21(22)11-12-24-33(4)16-14-25(38)32(2,3)29(33)23(37)18-35(24,34)6/h10,21-31,37-42H,9,11-19H2,1-8H3/b20-10+/t21-,22-,23-,24+,25-,26-,27-,28+,29-,30-,31+,33+,34+,35+,36-/m0/s1 > URKGYWTUTCDDNL-LUWFMRNTSA-N > C36H62O9 > 638.883 > 638.439383576 > 9 > 107 > 73.72842721522404 > 0 > 6 > 0 > 0 > (2R,3R,4S,5S,6S)-2-{[(2E,6S)-6-[(1R,2R,5S,7R,8S,10R,11R,14S,15S)-5,8-dihydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-6-hydroxy-2-methylhept-2-en-1-yl]oxy}-6-methoxyoxane-3,4,5-triol > 3.389568506666665 > 1 > 5 > 0 > 12.772061658822334 > 12.004892766966767 > -0.3973632417636207 > 149.07 > 171.24250000000004 > 8 > 0 > (2R,3R,4S,5S,6S)-2-{[(2E,6S)-6-[(1R,2R,5S,7R,8S,10R,11R,14S,15S)-5,8-dihydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-6-hydroxy-2-methylhept-2-en-1-yl]oxy}-6-methoxyoxane-3,4,5-triol > 0 > NP0329873 > (2r,3r,4s,5s,6s)-2-{[(2e,6s)-6-[(1s,3ar,3br,5s,5ar,7s,9ar,9br,11as)-5,7-dihydroxy-3a,3b,6,6,9a-pentamethyl-dodecahydro-1h-cyclopenta[a]phenanthren-1-yl]-6-hydroxy-2-methylhept-2-en-1-yl]oxy}-6-methoxyoxane-3,4,5-triol $$$$