Mrv1652304292204542D 64 70 0 0 1 0 999 V2000 0.3704 -1.8872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2211 -1.3121 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0187 -0.5123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6102 0.0629 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4041 -0.1618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6064 -0.9616 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0149 -1.5368 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2172 -2.3366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4002 -1.1863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9956 0.4133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4079 0.8627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9994 1.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1642 -1.6625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7557 -2.2376 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5687 -2.0971 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0083 -1.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8327 -1.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2175 -2.1603 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0173 -2.3626 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7028 -1.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4431 -2.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4978 -3.0910 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2381 -3.4552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9236 -2.9962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8689 -2.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5544 -1.7140 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2947 -2.0782 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3494 -2.9014 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6639 -3.3604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0897 -3.2656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9802 -1.6192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7205 -1.9834 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7752 -2.8066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5155 -3.1707 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2010 -2.7117 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1463 -1.8886 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4060 -1.5244 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3512 -0.7012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8318 -1.4296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7770 -0.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9413 -3.0759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9960 -3.8991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3105 -4.3581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7363 -4.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7910 -5.0865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5313 -5.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4218 -3.8043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5702 -3.9939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4997 -0.8908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7594 -0.5266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8123 -3.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0720 -3.1858 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3061 -3.4923 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7779 -2.8585 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9535 -2.8269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3784 -3.4184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6381 -3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2600 -3.5928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1037 -4.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6952 -4.8672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0404 -4.0102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8768 -1.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1097 -1.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3666 -0.8627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 6 0 0 0 6 9 1 1 0 0 0 5 10 1 1 0 0 0 4 11 1 1 0 0 0 11 12 1 0 0 0 0 1 13 1 0 0 0 0 14 13 1 6 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 18 17 1 6 0 0 0 18 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 22 23 1 6 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 24 29 1 0 0 0 0 28 30 1 1 0 0 0 27 31 1 6 0 0 0 32 31 1 1 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 32 37 1 0 0 0 0 37 38 1 6 0 0 0 36 39 1 1 0 0 0 39 40 1 0 0 0 0 35 41 1 6 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 44 45 2 0 0 0 0 45 46 1 0 0 0 0 44 47 1 0 0 0 0 34 48 1 1 0 0 0 26 49 1 6 0 0 0 49 50 1 0 0 0 0 22 51 1 0 0 0 0 51 52 1 0 0 0 0 19 52 1 0 0 0 0 52 53 1 0 0 0 0 54 53 1 6 0 0 0 18 54 1 0 0 0 0 54 55 1 0 0 0 0 15 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 14 57 1 0 0 0 0 55 58 1 6 0 0 0 53 59 1 1 0 0 0 59 60 2 0 0 0 0 52 61 1 1 0 0 0 19 62 1 6 0 0 0 15 63 1 6 0 0 0 13 64 1 1 0 0 0 M END > NP0081826 > NP-MRD > CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@H]4[C@H](C=O)[C@@]3(O)C2)[C@H](C)O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O[C@H](C)[C@H]1O[C@@H]1O[C@H](C)[C@@H](OC(=O)C(\C)=C\C)[C@H](OC)[C@H]1O > InChI=1S/C46H74O18/c1-10-21(2)40(53)63-38-24(5)60-42(36(52)39(38)57-9)64-37-23(4)58-31(17-29(37)56-8)61-25-11-14-44(7)27-12-15-43(6)26(13-16-45(43,54)32(27)28(19-47)46(44,55)18-25)22(3)59-41-35(51)34(50)33(49)30(20-48)62-41/h10,19,22-39,41-42,48-52,54-55H,11-18,20H2,1-9H3/b21-10+/t22-,23+,24+,25-,26+,27-,28-,29-,30+,31-,32+,33-,34-,35+,36+,37+,38+,39+,41+,42-,43+,44+,45-,46-/m0/s1 > DKFHSGBKZJIVMD-VEODECQMSA-N > C46H74O18 > 915.08 > 914.487515543 > 17 > 138 > 97.85517739173349 > 0 > 7 > 0 > 0 > (2R,3R,4R,5R,6S)-6-{[(2R,3R,4S,6R)-6-{[(3S,3aR,5aS,5bR,8S,9aS,10S,10aR,10bS)-10-formyl-9a,10b-dihydroxy-3a,5b-dimethyl-3-[(1S)-1-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl]-hexadecahydrocyclopenta[a]fluoren-8-yl]oxy}-4-methoxy-2-methyloxan-3-yl]oxy}-5-hydroxy-4-methoxy-2-methyloxan-3-yl (2E)-2-methylbut-2-enoate > 1.21 > 1.4226056836666672 > -3.54 > 1 > 7 > 0 > 12.509596718189503 > 11.968809795944793 > -2.9810835415398227 > 258.81999999999994 > 223.40390000000008 > 14 > 0 > 2.62e-01 g/l > (2R,3R,4R,5R,6S)-6-{[(2R,3R,4S,6R)-6-{[(3S,3aR,5aS,5bR,8S,9aS,10S,10aR,10bS)-10-formyl-9a,10b-dihydroxy-3a,5b-dimethyl-3-[(1S)-1-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}ethyl]-dodecahydrocyclopenta[a]fluoren-8-yl]oxy}-4-methoxy-2-methyloxan-3-yl]oxy}-5-hydroxy-4-methoxy-2-methyloxan-3-yl (2E)-2-methylbut-2-enoate > 0 > NP0081826 > Hoodistanaloside A $$$$