Mrv1652309272007292D 99108 0 0 0 0 999 V2000 2499.3953 2498.7734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2498.6830 2500.0075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2497.2565 2497.5269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2495.5495 2499.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2495.0192 2499.0394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2497.2565 2500.0075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2500.1075 2500.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2502.2544 2500.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2502.2544 2499.6207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2501.5319 2500.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2502.2462 2502.0891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2505.1034 2502.0891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2503.6748 2499.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2504.3891 2499.2032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2502.9604 2499.2032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2505.1034 2500.4394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2502.9604 2502.5025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2500.8197 2501.2560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2499.3953 2501.2560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2496.5443 2499.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2495.8300 2499.1796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2495.8300 2498.3547 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2496.5443 2497.9424 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2497.2557 2499.1796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2497.2557 2498.3547 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2497.9700 2497.9424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2498.6844 2498.3547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2500.1075 2499.1898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2500.8218 2499.6021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2500.8200 2502.0852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2500.1057 2501.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2500.1057 2500.8478 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2500.8200 2500.4355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2501.5344 2500.8478 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2501.5344 2501.6728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2498.6821 2500.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2497.9677 2500.4255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2497.9677 2499.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2498.6821 2499.1883 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2499.3965 2499.6006 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2499.3965 2500.4255 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2503.6748 2502.0898 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2502.9604 2501.6774 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2502.9604 2500.8524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2503.6748 2500.4401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2504.3892 2500.8524 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2504.3892 2501.6774 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2496.5450 2497.1170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2496.5449 2495.4662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2493.6846 2495.4645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2495.8302 2497.5296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2495.8293 2495.8786 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2495.1143 2495.4659 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2494.3994 2495.8786 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2494.3995 2496.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2495.1142 2497.1169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2495.8294 2496.7041 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2495.1142 2494.6390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2497.9710 2494.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2498.6863 2494.2288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2495.1132 2492.9909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2496.5431 2492.1643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2497.9719 2492.9892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2495.8288 2495.0515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2495.8291 2493.4025 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2496.5435 2492.9899 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2497.2579 2493.4024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2497.2578 2494.2274 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2496.5434 2494.6401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2495.8290 2494.2275 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2503.6748 2502.9152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2503.6748 2504.5661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2502.2440 2505.3933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2500.8142 2504.5677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2501.5291 2503.3281 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2502.2440 2502.9154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2502.9590 2503.3281 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2502.9588 2504.1535 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2502.2442 2504.5664 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2501.5292 2504.1535 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2503.6739 2503.7411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2503.6755 2505.3916 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2504.3904 2505.8043 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2504.3904 2506.6299 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2503.6755 2507.0426 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2502.9605 2506.6299 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2502.9605 2505.8043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2502.2456 2507.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2505.1053 2505.3916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2503.6755 2507.8681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2505.1053 2507.0428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2504.3903 2504.9785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2500.8147 2502.9157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2500.1005 2503.3281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2495.1176 2497.9403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2494.4032 2498.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2493.6890 2497.9402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2494.4032 2499.1774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2502.2457 2507.8676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8 9 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 28 29 1 0 0 0 0 30 31 1 0 0 0 0 30 35 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 36 37 1 0 0 0 0 36 41 1 0 0 0 0 37 38 2 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 42 43 1 0 0 0 0 42 47 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 21 5 1 0 0 0 0 21 4 1 0 0 0 0 20 24 1 0 0 0 0 23 25 1 0 0 0 0 25 3 1 6 0 0 0 24 6 1 6 0 0 0 35 11 1 6 0 0 0 34 10 1 1 0 0 0 34 8 1 0 0 0 0 29 33 1 0 0 0 0 33 18 1 1 0 0 0 32 7 1 6 0 0 0 45 13 1 1 0 0 0 46 16 1 6 0 0 0 47 12 1 1 0 0 0 43 17 1 6 0 0 0 11 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 38 24 1 0 0 0 0 27 39 1 0 0 0 0 40 28 1 0 0 0 0 39 2 1 1 0 0 0 41 19 1 1 0 0 0 40 1 1 6 0 0 0 32 41 1 0 0 0 0 52 53 1 0 0 0 0 52 57 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 54 50 1 1 0 0 0 52 49 1 6 0 0 0 57 51 1 6 0 0 0 48 57 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 59 60 1 0 0 0 0 65 66 1 0 0 0 0 65 70 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 65 61 1 1 0 0 0 66 62 1 6 0 0 0 67 63 1 1 0 0 0 68 59 1 6 0 0 0 70 64 1 1 0 0 0 58 70 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 53 58 1 1 0 0 0 23 48 1 6 0 0 0 75 80 1 0 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 80 74 1 6 0 0 0 79 73 1 6 0 0 0 78 72 1 1 0 0 0 71 77 1 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 77 81 1 1 0 0 0 72 82 1 0 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 82 83 1 0 0 0 0 86 88 1 6 0 0 0 83 89 1 1 0 0 0 84 91 1 6 0 0 0 85 90 1 1 0 0 0 86 87 1 0 0 0 0 82 87 1 0 0 0 0 82 92 1 1 0 0 0 42 71 1 6 0 0 0 75 93 1 6 0 0 0 93 94 1 0 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96 98 2 0 0 0 0 22 95 1 6 0 0 0 88 99 1 0 0 0 0 M END > NP0081830 > NP-MRD > [H][C@@]1(O[C@@H]2[C@H](OC(C)=O)C(C)(C)C[C@@]3([H])C4=CC[C@]5([H])[C@@]6(C)CC[C@H](O[C@]7([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]7O[C@]7([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O[C@]7([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(O)=O)[C@](C)(CO)[C@]6([H])CC[C@@]5(C)[C@]4(C)CC[C@@]23C)OC[C@H](O)[C@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O > InChI=1S/C61H98O30/c1-23(66)82-48-49(91-51-43(78)44(26(67)21-81-51)87-52-41(76)36(71)33(68)27(18-62)83-52)57(4)15-16-60(7)24(25(57)17-56(48,2)3)9-10-31-58(5)13-12-32(59(6,22-65)30(58)11-14-61(31,60)8)86-55-47(40(75)39(74)45(88-55)50(79)80)90-54-46(38(73)35(70)29(20-64)85-54)89-53-42(77)37(72)34(69)28(19-63)84-53/h9,25-49,51-55,62-65,67-78H,10-22H2,1-8H3,(H,79,80)/t25-,26-,27+,28+,29+,30+,31+,32-,33+,34+,35-,36-,37-,38-,39-,40-,41+,42+,43+,44-,45-,46+,47+,48-,49+,51-,52-,53-,54-,55+,57+,58-,59+,60+,61+/m0/s1 > NDXIVVRSUHRINU-PEBUYCORSA-N > C61H98O30 > 1311.425 > 1310.614291756 > 29 > 189 > 136.60172259680397 > 0 > 17 > 0 > 0 > (2S,3S,4S,5R,6R)-6-{[(3S,4S,4aR,6aR,6bS,8aR,9S,10R,12aS,14aR,14bR)-10-(acetyloxy)-9-{[(2S,3R,4S,5S)-3,5-dihydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-5-{[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid > -0.32 > -3.4898808743333327 > -2.65 > 1 > 10 > -1 > 11.805423874766023 > 3.317895771888534 > -3.685513321157802 > 479.5800000000002 > 301.52789999999993 > 17 > 0 > 2.93e+00 g/l > (2S,3S,4S,5R,6R)-6-{[(3S,4S,4aR,6aR,6bS,8aR,9S,10R,12aS,14aR,14bR)-10-(acetyloxy)-9-{[(2S,3R,4S,5S)-3,5-dihydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-(hydroxymethyl)-4,6a,6b,8a,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-5-{[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxyoxane-2-carboxylic acid > 0 > NP0081830 > (+)-Impatienoside E $$$$