Mrv1533004251509462D 64 71 0 0 0 0 999 V2000 -0.4733 -3.5409 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 0.4452 -3.0106 0.0000 C 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 1.1270 -6.6809 0.0000 O 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 2.3645 -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 7.7270 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3145 -3.1086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7270 -2.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3145 -1.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7270 -0.9651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5520 -2.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9645 -1.6796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9645 -3.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7895 -3.1086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2020 -2.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7895 -1.6796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2020 -0.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0270 -0.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4395 -0.2507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4395 -1.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2645 -1.6796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6770 -0.9651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5020 -0.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9145 -0.2507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7395 -0.2507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1520 -0.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9770 -0.9651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7395 -1.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1520 -2.3941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9145 -1.6796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5020 -2.3941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0270 -2.3941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4395 -3.1086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5520 -3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9645 -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 6.8522 -5.5341 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 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 0.6282 -6.7869 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 2 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 7 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 24 27 1 0 0 0 0 27 28 1 0 0 0 0 27 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 34 35 1 0 0 0 0 34 36 1 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 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 39 46 1 0 0 0 0 46 47 1 0 0 0 0 36 48 1 0 0 0 0 31 48 1 0 0 0 0 48 49 1 0 0 0 0 29 50 1 0 0 0 0 22 50 1 0 0 0 0 50 51 1 0 0 0 0 20 52 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 52 55 1 0 0 0 0 16 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 10 58 1 0 0 0 0 15 58 1 0 0 0 0 58 59 1 0 0 0 0 12 60 1 0 0 0 0 6 60 1 0 0 0 0 60 61 1 0 0 0 0 2 61 1 0 0 0 0 6 62 1 0 0 0 0 62 63 2 0 0 0 0 62 64 1 0 0 0 0 M END > NP0154377 > NP-MRD > CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OCC(O)C(OOC8OCC(O)C(O)C8O)C7O)C6O)C(C)(C)C5CCC34C)C2C1)C(O)=O > InChI=1S/C46H74O18/c1-41(2)14-15-46(40(56)57)22(16-41)21-8-9-27-43(5)12-11-29(42(3,4)26(43)10-13-44(27,6)45(21,7)17-28(46)50)61-39-34(55)36(31(52)25(18-47)60-39)62-37-33(54)35(24(49)20-58-37)63-64-38-32(53)30(51)23(48)19-59-38/h8,22-39,47-55H,9-20H2,1-7H3,(H,56,57) > YNYCMZUNOUODED-UHFFFAOYSA-N > C46H74O18 > 915.08 > 914.487515543 > 18 > 138 > 96.88582747048838 > 0 > 10 > 0 > 0 > 10-{[4-({3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)peroxy]oxan-2-yl}oxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid > 2.04 > 1.4963549096666675 > -3.58 > 1 > 8 > -1 > 11.739838807376634 > 4.608656355072775 > -3.526713964246677 > 283.97999999999996 > 221.53620000000012 > 9 > 0 > 2.41e-01 g/l > 10-{[4-({3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)peroxy]oxan-2-yl}oxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid > 0 > NP0154377 > 10-{[4-({3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)peroxy]oxan-2-yl}oxy)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid $$$$