Mrv1652304292202172D 85 94 0 0 1 0 999 V2000 2.6857 -0.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3544 0.2308 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8431 0.8955 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6631 0.8046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9944 0.0491 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5057 -0.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8370 -1.3712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8154 0.1307 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9914 0.9367 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2793 1.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8124 1.0183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1437 0.2627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5275 -0.2858 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6091 -1.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9323 0.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1168 1.3091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9054 1.5514 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0899 2.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8786 2.5977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0631 3.4018 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4589 3.9637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6434 4.7678 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4321 5.0100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0362 4.4482 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8517 3.6441 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4558 3.0823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8248 4.6905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6166 5.8142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0393 5.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2238 6.1337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5096 0.9895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7594 -0.2863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4029 -0.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5118 1.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6918 1.7419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2031 1.0772 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5345 0.3216 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0458 -0.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2258 -0.2522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1055 0.5034 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3832 1.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9255 0.5942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4142 -0.0705 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0829 -0.8260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5715 -1.4907 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3915 -1.3999 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7228 -0.6443 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2342 0.0204 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5655 0.7759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5428 -0.5535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8802 -2.0646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7002 -1.9737 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1889 -2.6384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0088 -2.5475 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3401 -1.7920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8515 -1.1273 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0315 -1.2182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1828 -0.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0028 -0.2809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1601 -1.7011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4975 -3.2122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3175 -3.1214 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.8062 -3.7861 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.6262 -3.6952 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.9575 -2.9397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.4688 -2.2750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6488 -2.3658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7774 -2.8488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1148 -4.3599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4749 -4.5416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8576 -3.3940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3462 -4.0587 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0149 -4.8142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5036 -5.4789 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3236 -5.3880 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.6549 -4.6325 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1662 -3.9678 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8783 -3.5513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3717 -5.0410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8123 -6.0527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1723 -6.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3523 -6.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2402 -2.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4203 -2.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8658 -0.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 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 1 6 1 0 0 0 0 6 7 2 0 0 0 0 8 5 1 6 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 4 10 1 6 0 0 0 9 11 1 6 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 8 13 1 0 0 0 0 13 14 1 1 0 0 0 12 15 1 6 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 20 19 1 6 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 20 25 1 0 0 0 0 25 26 1 1 0 0 0 24 27 1 6 0 0 0 23 28 1 1 0 0 0 22 29 1 6 0 0 0 29 30 1 0 0 0 0 17 31 1 6 0 0 0 12 32 1 1 0 0 0 5 33 1 6 0 0 0 3 34 1 1 0 0 0 34 35 1 0 0 0 0 36 35 1 6 0 0 0 36 37 1 0 0 0 0 2 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 36 41 1 0 0 0 0 40 42 1 6 0 0 0 43 42 1 6 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 43 48 1 0 0 0 0 48 49 1 1 0 0 0 47 50 1 6 0 0 0 46 51 1 6 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 52 57 1 0 0 0 0 56 58 1 1 0 0 0 58 59 1 0 0 0 0 55 60 1 6 0 0 0 54 61 1 1 0 0 0 62 61 1 1 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 62 67 1 0 0 0 0 65 68 1 6 0 0 0 64 69 1 1 0 0 0 63 70 1 6 0 0 0 53 71 1 6 0 0 0 72 71 1 6 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 72 77 1 0 0 0 0 77 78 1 1 0 0 0 76 79 1 6 0 0 0 75 80 1 1 0 0 0 74 81 1 6 0 0 0 81 82 1 0 0 0 0 45 83 1 6 0 0 0 83 84 1 0 0 0 0 37 85 1 6 0 0 0 M END > NP0079255 > NP-MRD > C[C@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@H](CC[C@]5(C)[C@H]4CC(=O)[C@]3(C)[C@H]2[C@@H]1C)O[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O > InChI=1S/C56H92O29/c1-20(18-75-49-43(71)39(67)36(64)29(14-57)78-49)7-10-56(74)21(2)34-28(85-56)12-26-24-6-5-22-11-23(8-9-54(22,3)25(24)13-33(62)55(26,34)4)77-51-45(73)41(69)46(32(17-60)81-51)82-53-48(84-52-44(72)40(68)37(65)30(15-58)79-52)47(38(66)31(16-59)80-53)83-50-42(70)35(63)27(61)19-76-50/h20-32,34-53,57-61,63-74H,5-19H2,1-4H3/t20-,21+,22+,23+,24-,25+,26+,27-,28+,29-,30-,31-,32-,34+,35+,36-,37-,38-,39+,40+,41-,42-,43-,44-,45-,46+,47+,48-,49-,50+,51-,52+,53+,54+,55-,56-/m1/s1 > BHLUWQFMLVBJAR-ADZCVLLUSA-N > C56H92O29 > 1229.323 > 1228.572426942 > 29 > 177 > 128.01634302353963 > 0 > 17 > 0 > 0 > (1R,2S,4S,6R,7S,8R,9S,12S,13S,16S,18S)-16-{[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-{[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan-10-one > -1.30 > -4.719945284666665 > -2.39 > 1 > 10 > 0 > 11.893032007554773 > 11.4630620543226 > -3.6786119366911016 > 462.51000000000016 > 279.7231999999999 > 18 > 0 > 5.06e+00 g/l > (1R,2S,4S,6R,7S,8R,9S,12S,13S,16S,18S)-16-{[(2R,3R,4R,5R,6R)-3,4-dihydroxy-5-{[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-{[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-6-hydroxy-7,9,13-trimethyl-6-[(3R)-3-methyl-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}butyl]-5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosan-10-one > 0 > NP0079255 > (-)-Polianthoside D $$$$