Mrv1652304282220102D 64 71 0 0 1 0 999 V2000 6.0770 -0.3020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4895 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0770 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 1.1270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8395 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7770 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6020 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0145 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5395 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1270 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3020 1.1270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2732 1.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4553 2.3388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1549 1.9016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8833 2.2889 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5830 1.8517 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5542 1.0272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8257 0.6399 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1261 1.0771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7969 -0.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0685 -0.5719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2538 0.5900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3114 2.2390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0110 1.8019 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9822 0.9774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6819 0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4103 0.9275 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4391 1.7520 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7395 2.1892 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7683 3.0137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1675 2.1393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1100 0.4903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9121 3.1134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2125 3.5506 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2413 4.3751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5416 4.8123 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1868 4.4250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2156 3.6005 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4840 3.1633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 3.2131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8864 4.8621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5704 5.6368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9697 4.7624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3977 1.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9355 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6907 1.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6645 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4895 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 2.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7766 -0.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1058 -1.1265 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 1 0 0 0 1 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 10 9 1 6 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 7 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 4 14 1 0 0 0 0 12 15 1 1 0 0 0 11 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 10 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 0 0 0 0 18 23 1 0 0 0 0 23 24 1 6 0 0 0 24 25 1 0 0 0 0 26 25 1 6 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 26 31 1 0 0 0 0 30 32 1 6 0 0 0 32 33 1 0 0 0 0 29 34 1 1 0 0 0 28 35 1 6 0 0 0 36 35 1 6 0 0 0 36 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 41 42 1 1 0 0 0 40 43 1 6 0 0 0 39 44 1 6 0 0 0 27 45 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 46 51 1 0 0 0 0 50 52 1 1 0 0 0 49 53 1 1 0 0 0 48 54 1 1 0 0 0 47 55 1 6 0 0 0 23 56 1 1 0 0 0 22 57 1 6 0 0 0 19 58 1 1 0 0 0 11 59 1 6 0 0 0 4 60 1 6 0 0 0 60 61 2 0 0 0 0 60 62 1 0 0 0 0 1 63 1 6 0 0 0 1 64 1 1 0 0 0 M END > NP0072894 > NP-MRD > C[C@H]1O[C@@H](O[C@H]2[C@H](OC[C@@]3(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]3(C)[C@@H]4CC=C4[C@@H]5C[C@](C)(O)CC[C@@]5(CC[C@@]34C)C(O)=O)O[C@H](CO)[C@@H](O)[C@@H]2O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O > InChI=1S/C46H74O18/c1-21-29(50)32(53)34(55)38(61-21)64-36-35(63-37-33(54)30(51)24(48)19-59-37)31(52)25(18-47)62-39(36)60-20-43(4)26-9-12-45(6)27(42(26,3)11-10-28(43)49)8-7-22-23-17-41(2,58)13-15-46(23,40(56)57)16-14-44(22,45)5/h7,21,23-39,47-55,58H,8-20H2,1-6H3,(H,56,57)/t21-,23+,24+,25-,26-,27-,28+,29+,30+,31-,32+,33-,34-,35+,36-,37+,38+,39-,41-,42-,43-,44-,45-,46+/m1/s1 > LUXWHJFRMMPTNB-RUKBTWKASA-N > C46H74O18 > 915.08 > 914.487515543 > 18 > 138 > 96.85457722660347 > 0 > 11 > 0 > 0 > (2R,4aR,6aS,6bR,8aR,9S,10S,12aS,12bR,14bS)-2,10-dihydroxy-9-({[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-2,6a,6b,9,12a-pentamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid > 0.89 > -0.014407826666661377 > -3.11 > 1 > 8 > -1 > 11.901174089438397 > 4.616252556378567 > -3.526580662132245 > 294.97999999999996 > 222.4169000000001 > 9 > 0 > 7.07e-01 g/l > (2R,4aR,6aS,6bR,8aR,9S,10S,12aS,12bR,14bS)-2,10-dihydroxy-9-({[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-4-{[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid > 0 > NP0072894 > (+)-Fargoside B $$$$