Mrv1533004201502092D 58 64 0 0 0 0 999 V2000 0.4452 -3.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4733 -3.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6165 -2.7284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3918 -2.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0238 -2.9765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 -2.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4310 -3.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2062 -2.9425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9423 -1.8819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7175 -1.5997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3103 -1.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4535 -0.5391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5350 -1.6338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9031 -1.1035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0463 -0.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8216 -0.0088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9648 0.8036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7401 1.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8833 1.8983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3328 1.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4761 2.1464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5576 1.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0744 1.5821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4143 0.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3609 -0.0429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3020 -5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -6.6809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4270 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0770 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4895 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3145 -4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0770 -5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9337 -6.0644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8522 -5.5341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9955 -6.3466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8395 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0145 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6020 -5.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6882 -6.0725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5395 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -5.9664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 -6.6809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 -5.9664 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 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 5 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 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 16 25 1 0 0 0 0 25 26 1 0 0 0 0 2 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 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 32 35 1 0 0 0 0 35 36 2 0 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 39 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 47 48 1 0 0 0 0 45 49 1 0 0 0 0 39 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 32 52 1 0 0 0 0 38 52 1 0 0 0 0 52 53 1 0 0 0 0 35 54 1 0 0 0 0 29 54 1 0 0 0 0 54 55 1 0 0 0 0 2 55 1 0 0 0 0 29 56 1 0 0 0 0 56 57 2 0 0 0 0 56 58 1 0 0 0 0 M END > NP0153854 > NP-MRD > CC1(COC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)CCC2(CCC3(CO)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC34C)C2C1)C(O)=O > InChI=1S/C42H68O16/c1-37(20-55-35-33(31(51)29(49)24(17-44)57-35)58-34-32(52)30(50)28(48)23(16-43)56-34)11-12-41(36(53)54)13-14-42(19-46)21(22(41)15-37)5-6-26-38(2)9-8-27(47)39(3,18-45)25(38)7-10-40(26,42)4/h5,22-35,43-52H,6-20H2,1-4H3,(H,53,54) > RIVOOHXKHNGREM-UHFFFAOYSA-N > C42H68O16 > 828.99 > 828.45073611 > 16 > 126 > 89.02217068778317 > 0 > 11 > 0 > 0 > 2-({[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-10-hydroxy-6a,9-bis(hydroxymethyl)-2,6b,9,12a-tetramethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid > 0.40 > -0.7891513279999991 > -3.08 > 1 > 7 > -1 > 12.08985358595558 > 4.2902080105372855 > -2.9810835766873414 > 276.52 > 203.77520000000007 > 10 > 0 > 6.89e-01 g/l > 2-({[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-10-hydroxy-6a,9-bis(hydroxymethyl)-2,6b,9,12a-tetramethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid > 0 > NP0153854 > 2-({[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-10-hydroxy-6a,9-bis(hydroxymethyl)-2,6b,9,12a-tetramethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid $$$$