Mrv1533004191514512D 60 65 0 0 0 0 999 V2000 3.6020 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 3.9849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 3.9849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 2.5559 0.0000 O 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 2.3645 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 1.1270 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 0.4125 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 3.6020 -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 4.8395 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4270 -0.3020 0.0000 C 0 0 0 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 6.0770 -0.3020 0.0000 C 0 0 0 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 7.3145 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7270 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5520 -0.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9645 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5520 -1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9645 -2.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7270 -1.7309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3145 -2.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3145 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4895 -1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7895 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2020 -1.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2020 -0.3020 0.0000 O 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 5.9337 1.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8522 1.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9955 2.2216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 1.1270 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 4.0145 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6882 1.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 0.4125 0.0000 C 0 0 0 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 0.4452 -1.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4733 -0.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 0.4125 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 0.3020 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 1.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9355 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1730 2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5855 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9355 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 2.3264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 4 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 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 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 22 29 1 0 0 0 0 29 30 1 0 0 0 0 24 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 20 34 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 34 38 1 0 0 0 0 16 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 10 41 1 0 0 0 0 15 41 1 0 0 0 0 41 42 1 0 0 0 0 12 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 45 48 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 52 54 1 0 0 0 0 54 55 2 0 0 0 0 55 56 1 4 0 0 0 54 57 1 0 0 0 0 50 58 1 0 0 0 0 8 58 1 0 0 0 0 43 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 M END > NP0269418 > NP-MRD > CC=C(C)C(=O)OC1CC2(C)C(=CCC3C4(C)CCC(OC5OC(C(O)C(O)C5O)C(O)=O)C(C)(CO)C4CCC23C)C2CC(C)(C)C(O)C(OC(=O)C(C)=CC)C12CO > InChI=1S/C46H70O14/c1-11-23(3)38(55)57-30-20-45(10)25(26-19-41(5,6)35(52)36(46(26,30)22-48)60-39(56)24(4)12-2)13-14-28-42(7)17-16-29(43(8,21-47)27(42)15-18-44(28,45)9)58-40-33(51)31(49)32(50)34(59-40)37(53)54/h11-13,26-36,40,47-52H,14-22H2,1-10H3,(H,53,54) > OCCMPYKWUWDPDP-UHFFFAOYSA-N > C46H70O14 > 847.052 > 846.476556934 > 12 > 130 > 93.60738834094494 > 0 > 7 > 0 > 0 > 3,4,5-trihydroxy-6-{[10-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8,9-bis[(2-methylbut-2-enoyl)oxy]-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}oxane-2-carboxylic acid > 3.98 > 4.436293601666666 > -4.73 > 1 > 6 > -1 > 12.212307235162173 > 3.5182148378203597 > -2.785723760002405 > 229.73999999999995 > 219.6355000000001 > 11 > 0 > 1.59e-02 g/l > 3,4,5-trihydroxy-6-{[10-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8,9-bis[(2-methylbut-2-enoyl)oxy]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}oxane-2-carboxylic acid > 0 > NP0269418 > 3,4,5-trihydroxy-6-{[10-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-8,9-bis[(2-methylbut-2-enoyl)oxy]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}oxane-2-carboxylic acid $$$$