Mrv0541 02241212052D 65 72 0 0 0 0 999 V2000 -2.4949 -0.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4949 -1.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7806 -1.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0679 -1.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0679 -0.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7806 -0.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3537 -1.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3592 -1.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3592 -0.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3537 -0.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0706 -0.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0706 0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3592 1.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3537 0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7820 -0.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4922 -0.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4922 0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7820 1.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2009 1.0252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2009 1.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4922 2.2513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7820 1.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2105 -1.8550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1935 -2.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3679 -2.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0679 0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3592 0.2092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0706 -1.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0794 2.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9050 2.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2078 0.2037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9234 0.6166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2078 -0.6220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4922 -1.0308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9234 -1.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9261 -1.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6416 -2.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3546 -1.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3546 -1.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6416 -0.6248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0702 -0.6220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0702 0.2037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0702 -2.2734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6416 -3.0976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2105 -2.2734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9261 -1.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9234 -0.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6376 -0.2022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3546 -0.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3546 -1.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6376 -1.8591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0702 -0.2036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2078 -0.2036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6376 0.6234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9220 1.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2064 0.6234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4922 1.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4922 1.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2064 2.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9220 1.8605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7766 0.6234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 1.0362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7766 2.2734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2064 3.0976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6376 2.2734 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 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 3 25 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 26 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 27 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 28 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 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 31 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 29 1 0 0 0 0 21 30 1 0 0 0 0 23 46 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 35 40 1 0 0 0 0 36 37 1 0 0 0 0 36 45 1 0 0 0 0 37 38 1 0 0 0 0 37 44 1 0 0 0 0 38 39 1 0 0 0 0 38 43 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 46 47 1 0 0 0 0 46 51 1 0 0 0 0 47 48 1 0 0 0 0 47 53 1 0 0 0 0 48 49 1 0 0 0 0 48 54 1 0 0 0 0 49 50 1 0 0 0 0 49 52 1 0 0 0 0 50 51 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 57 61 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 59 60 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 62 1 0 0 0 0 M END > FDB015370 > foodb > CC1(C)CCC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(C)C5CCC34C)C2C1)C(=O)OC1OC(CO)C(O)C(O)C1O > InChI=1S/C47H76O18/c1-42(2)14-15-47(41(59)65-40-35(57)33(55)31(53)25(19-49)62-40)22(16-42)21-8-9-27-44(5)12-11-29(43(3,4)26(44)10-13-45(27,6)46(21,7)17-28(47)51)63-38-36(58)37(23(50)20-60-38)64-39-34(56)32(54)30(52)24(18-48)61-39/h8,22-40,48-58H,9-20H2,1-7H3 > DYJBTUINEBYYQT-UHFFFAOYSA-N > C47H76O18 > 929.0955 > 928.503165628 > 17 > 99.10817973325189 > 0 > 11 > 0 > 0 > 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10-[(3,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}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-carboxylate > 1.33 > 0.18461792366666596 > -3.37 > 1 > 8 > 0 > 12.202519227489868 > 11.76134919078305 > -3.533448902771995 > 294.97999999999996 > 226.4353000000001 > 9 > 0 > 3.93e-01 g/l > 3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 10-[(3,5-dihydroxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}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-carboxylate > 0 > FDB015370 > Araliasaponin I $$$$