Mrv0541 02241217392D 54 60 0 0 0 0 999 V2000 0.0095 -0.7603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0095 -1.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7244 -1.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4378 -1.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4378 -0.7603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7244 -0.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1526 -1.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8662 -1.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8662 -0.7603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1526 -0.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5781 -0.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5781 0.4738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8662 0.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1526 0.4738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2903 -0.7603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0010 -0.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0010 0.4738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2903 0.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7103 0.8842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7103 1.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0010 2.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2903 1.7023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3112 -2.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1376 -2.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4378 0.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8662 0.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5781 -1.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5878 2.8262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4142 2.8262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7103 0.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4335 0.4738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7103 -0.7603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7067 -1.9999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4229 -1.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4229 -0.7603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1348 -0.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8524 -0.7603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8524 -1.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1348 -1.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5687 -1.9999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1348 0.4738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5687 -0.3485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1348 -2.8262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4229 0.8842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2849 -1.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2849 -0.7603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0011 -0.3485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7173 -0.7603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7173 -1.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0011 -1.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4335 -0.3485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4335 -1.9999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0011 -2.8262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8524 0.8842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 25 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 9 11 1 0 0 0 0 9 26 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 27 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 14 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 17 19 1 0 0 0 0 17 30 1 0 0 0 0 18 22 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 21 28 1 0 0 0 0 21 29 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 34 39 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 36 41 1 0 0 0 0 37 38 1 0 0 0 0 37 42 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 39 43 1 0 0 0 0 40 45 1 0 0 0 0 41 44 1 0 0 0 0 41 54 2 0 0 0 0 45 46 1 0 0 0 0 45 50 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 48 51 1 0 0 0 0 49 50 1 0 0 0 0 49 52 1 0 0 0 0 50 53 1 0 0 0 0 M END > NP0137287 > NP-MRD > CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7O)C6O)C(O)=O)C(C)(C)C5CCC34C)C2C1)C(O)=O > InChI=1S/C41H64O13/c1-36(2)14-16-41(35(49)50)17-15-39(6)20(21(41)18-36)8-9-24-38(5)12-11-25(37(3,4)23(38)10-13-40(24,39)7)52-34-29(46)30(28(45)31(54-34)32(47)48)53-33-27(44)26(43)22(42)19-51-33/h8,21-31,33-34,42-46H,9-19H2,1-7H3,(H,47,48)(H,49,50) > HWYBGIDROCYPOE-UHFFFAOYSA-N > C41H64O13 > 764.9391 > 764.434692134 > 13 > 84.47258579022005 > 0 > 7 > 0 > 0 > 6-[(8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy]-3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid > 3.60 > 4.003771621999999 > -4.31 > 1 > 7 > -2 > 4.767162605012912 > 3.4549741748076737 > -3.52658066213482 > 212.67 > 192.35600000000008 > 6 > 0 > 3.72e-02 g/l > 6-[(8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl)oxy]-3,5-dihydroxy-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid > 0 > NP0137287 > Momordin Ic $$$$