Mrv1652309072217292D 42 46 0 0 1 0 999 V2000 5.0883 0.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3613 1.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3355 2.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6601 0.7822 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8963 1.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3637 0.4640 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7983 -0.2372 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.4083 -0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5837 -0.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1491 -0.2887 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3245 -0.3145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4930 -1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4416 -0.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1101 0.3867 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9347 0.3610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3247 -0.3660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8901 -1.0673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2801 -1.7943 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8455 -2.4955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0209 -2.4698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1047 -1.8200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4947 -2.5470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5393 -1.1188 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3639 -1.1446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1493 -0.3918 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5839 0.3094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1939 1.0365 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3693 1.0622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9793 1.7892 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1547 1.8150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 2.4905 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0240 3.2175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2386 2.4647 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6732 3.1659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6285 1.7377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4531 1.7119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2799 1.1137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1045 1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5391 0.4383 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9291 1.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5995 -0.0406 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2295 -0.5732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 4 2 1 6 0 0 0 4 5 1 0 0 0 0 6 5 1 6 0 0 0 6 7 1 0 0 0 0 7 8 1 6 0 0 0 8 9 1 0 0 0 0 10 9 1 1 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 14 15 1 1 0 0 0 16 15 1 6 0 0 0 16 17 1 0 0 0 0 17 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 21 22 1 1 0 0 0 21 23 1 0 0 0 0 23 24 1 6 0 0 0 23 25 1 0 0 0 0 16 25 1 0 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 6 0 0 0 29 31 1 0 0 0 0 31 32 1 1 0 0 0 31 33 1 0 0 0 0 33 34 1 6 0 0 0 33 35 1 0 0 0 0 27 35 1 0 0 0 0 35 36 1 6 0 0 0 14 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 6 39 1 0 0 0 0 10 39 1 0 0 0 0 39 40 1 1 0 0 0 7 41 1 0 0 0 0 4 41 1 0 0 0 0 41 42 1 6 0 0 0 M END > NP0252093 > NP-MRD > C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@H]2CC[C@]3(C)[C@@H]4C[C@@H]([C@H](O)[C@@H]4CC[C@H]3C2(C)C)C(C)=C)[C@H](O)[C@H](O)[C@H]1O > InChI=1S/C31H52O11/c1-13(2)16-11-17-15(22(16)34)7-8-19-30(4,5)20(9-10-31(17,19)6)41-29-27(25(37)23(35)18(12-32)40-29)42-28-26(38)24(36)21(33)14(3)39-28/h14-29,32-38H,1,7-12H2,2-6H3/t14-,15+,16+,17+,18+,19-,20-,21-,22+,23+,24+,25-,26+,27+,28-,29-,31+/m0/s1 > ZWGAUEYLMVXHDY-DUZGSJEVSA-N > C31H52O11 > 600.746 > 600.350962494 > 11 > 94 > 64.49833175216968 > 0 > 7 > 0 > 0 > (2S,3R,4R,5R,6S)-2-{[(2R,3R,4S,5S,6R)-2-{[(2R,3R,3aR,5aR,7S,9aR,9bR)-3-hydroxy-6,6,9a-trimethyl-2-(prop-1-en-2-yl)-dodecahydro-1H-cyclopenta[a]naphthalen-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol > 0.8234334893333326 > 1 > 5 > 0 > 12.7201497734243 > 12.100264586680593 > -0.6411251865265893 > 178.53 > 149.28740000000005 > 6 > 0 > (2S,3R,4R,5R,6S)-2-{[(2R,3R,4S,5S,6R)-2-{[(2R,3R,3aR,5aR,7S,9aR,9bR)-3-hydroxy-6,6,9a-trimethyl-2-(prop-1-en-2-yl)-decahydro-1H-cyclopenta[a]naphthalen-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol > 0 > NP0252093 > (2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5s,6r)-2-{[(2r,3r,3ar,5ar,7s,9ar,9br)-3-hydroxy-6,6,9a-trimethyl-2-(prop-1-en-2-yl)-decahydro-1h-cyclopenta[a]naphthalen-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol $$$$