Mrv1533004161505062D 57 63 0 0 0 0 999 V2000 0.7145 -5.9664 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 0.3020 -5.2520 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 -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 1.1270 -3.8230 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 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 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 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 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 6.4895 -1.6796 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 3.1895 -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 2.6907 -6.0725 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 1.5395 -5.9664 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 -1.1053 -4.0712 0.0000 O 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 0.0155 -2.1981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1278 -1.3856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 -0.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3609 -0.0429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4143 0.2393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2794 -1.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9114 -0.6072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4227 -1.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1979 -2.2321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7907 -2.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9340 -3.2927 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 5 7 1 0 0 0 0 7 8 1 0 0 0 0 2 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 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 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 19 26 1 0 0 0 0 26 27 1 0 0 0 0 21 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 17 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 31 35 1 0 0 0 0 13 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 12 38 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 9 40 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 42 43 1 0 0 0 0 2 43 1 0 0 0 0 5 44 1 0 0 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 49 52 1 0 0 0 0 52 53 1 0 0 0 0 52 54 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 47 56 1 0 0 0 0 56 57 1 0 0 0 0 M END > NP0330381 > NP-MRD > CC12CCC(C)(CC1C1=CCC3C4(C)CCC(OC5OC(C(O)C(O)C5O)C(O)=O)C(C)(CO)C4CCC3(C)C1(C)CC2)C(=O)OC1OC(CO)C(O)C(O)C1O > InChI=1S/C42H66O15/c1-37-13-14-38(2,36(53)57-34-30(49)27(46)26(45)22(18-43)54-34)17-21(37)20-7-8-24-39(3)11-10-25(55-35-31(50)28(47)29(48)32(56-35)33(51)52)40(4,19-44)23(39)9-12-42(24,6)41(20,5)16-15-37/h7,21-32,34-35,43-50H,8-19H2,1-6H3,(H,51,52) > MJGCCTLYJFMRQV-UHFFFAOYSA-N > C42H66O15 > 810.975 > 810.440171425 > 14 > 123 > 87.89792682915754 > 0 > 9 > 0 > 0 > 3,4,5-trihydroxy-6-{[4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-11-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-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 > 2.46 > 1.5954330756666648 > -4.01 > 1 > 7 > -1 > 11.91147501753834 > 3.51821483694276 > -3.648397751529437 > 253.12999999999994 > 200.11110000000005 > 8 > 0 > 7.89e-02 g/l > 3,4,5-trihydroxy-6-{[4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-11-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}oxane-2-carboxylic acid > 0 > NP0330381 > 3,4,5-trihydroxy-6-{[4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-11-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}oxane-2-carboxylic acid $$$$