Mrv1652304292208412D 69 75 0 0 1 0 999 V2000 3.4187 -3.2364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0683 -2.4895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5619 -3.1408 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0556 -3.7922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3665 -4.5563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8601 -5.2077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1837 -4.6692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4946 -5.4334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2132 -3.6472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9106 -2.6345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1464 -2.9454 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4951 -2.4390 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6079 -1.6218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2691 -2.7499 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9204 -2.2435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3820 -3.5671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1461 -3.8780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2694 -4.0735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1565 -4.8907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8079 -5.3971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0336 -3.7626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8390 -1.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5218 -1.2340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1731 -1.7404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3708 -0.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9853 -1.5952 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6744 -0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2655 -0.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0777 -0.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6095 -1.3047 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1413 -1.9354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4216 -1.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1376 -0.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1351 -0.7453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9534 -1.7902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7655 -1.6450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2974 -2.2757 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1095 -2.1305 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3898 -1.3546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2019 -1.2094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4822 -0.4334 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9504 0.1973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2943 -0.2882 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5746 0.4877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8261 -0.9189 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6383 -0.7737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5458 -1.6949 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0777 -2.3256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7974 -3.1015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7337 -1.8401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6413 -2.7612 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4534 -2.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3610 -3.5371 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8928 -4.1678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5489 -3.6824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2686 -4.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4565 -4.6035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0171 -3.0516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6731 -2.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8610 -2.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3292 -2.0807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0489 -2.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5171 -2.2259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7050 -2.3711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2368 -3.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4247 -3.1470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1444 -3.9229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8928 -2.5163 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4299 -1.8335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 1 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 3 9 1 1 0 0 0 3 10 1 1 0 0 0 11 10 1 6 0 0 0 11 12 1 0 0 0 0 12 13 1 1 0 0 0 12 14 1 0 0 0 0 14 15 1 6 0 0 0 14 16 1 0 0 0 0 16 17 1 1 0 0 0 16 18 1 0 0 0 0 18 19 1 6 0 0 0 19 20 1 0 0 0 0 18 21 1 0 0 0 0 11 21 1 0 0 0 0 2 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 6 0 0 0 24 26 1 0 0 0 0 26 27 1 1 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 6 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 35 36 1 1 0 0 0 37 36 1 1 0 0 0 37 38 1 0 0 0 0 38 39 1 6 0 0 0 40 39 1 1 0 0 0 40 41 1 0 0 0 0 41 42 1 6 0 0 0 41 43 1 0 0 0 0 43 44 1 1 0 0 0 43 45 1 0 0 0 0 45 46 1 6 0 0 0 45 47 1 0 0 0 0 47 48 1 1 0 0 0 48 49 1 0 0 0 0 47 50 1 0 0 0 0 40 50 1 0 0 0 0 38 51 1 0 0 0 0 51 52 1 1 0 0 0 51 53 1 0 0 0 0 53 54 1 6 0 0 0 53 55 1 0 0 0 0 55 56 1 1 0 0 0 56 57 1 0 0 0 0 55 58 1 0 0 0 0 37 58 1 0 0 0 0 35 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 30 61 1 0 0 0 0 61 62 1 1 0 0 0 61 63 1 0 0 0 0 26 63 1 0 0 0 0 63 64 1 6 0 0 0 63 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 1 0 0 0 66 68 1 0 0 0 0 24 68 1 0 0 0 0 2 68 1 0 0 0 0 68 69 1 1 0 0 0 M END > NP0086391 > NP-MRD > [H][C@@]1(CC[C@]2(C)[C@]1([H])[C@H](O)C[C@]1([H])[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@]3([H])CC[C@@]21C)[C@](C)(CC(O)C=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O > InChI=1S/C45H76O20/c1-41(2)25-8-12-43(4)26(13-21(51)28-20(7-11-44(28,43)5)45(6,14-19(50)15-46)65-39-36(59)33(56)30(53)23(17-48)61-39)42(25,3)10-9-27(41)63-40-37(34(57)31(54)24(18-49)62-40)64-38-35(58)32(55)29(52)22(16-47)60-38/h15,19-40,47-59H,7-14,16-18H2,1-6H3/t19?,20-,21+,22+,23+,24+,25-,26+,27-,28-,29+,30+,31+,32-,33-,34-,35+,36+,37+,38-,39-,40-,42-,43+,44+,45-/m0/s1 > VOZBOWVVIGIJBC-JYKURVCKSA-N > C45H76O20 > 937.083 > 936.492994847 > 20 > 141 > 98.65829769969157 > 0 > 13 > 0 > 0 > (4S)-4-[(1R,2R,5S,7R,10R,11R,14S,15R,16R)-5-{[(2R,3R,4S,5S,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}-16-hydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2-hydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentanal > -0.68 > -2.9738640209999976 > -2.72 > 1 > 7 > 0 > 12.31326401050271 > 11.847209300325611 > -3.6483775957536517 > 335.44 > 222.06380000000004 > 13 > 0 > 1.80e+00 g/l > (4S)-4-[(1R,2R,5S,7R,10R,11R,14S,15R,16R)-5-{[(2R,3R,4S,5S,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}-16-hydroxy-2,6,6,10,11-pentamethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2-hydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentanal > 0 > NP0086391 > Floralginsenoside Kc $$$$