Mrv0541 05061308242D 76 83 0 0 0 0 999 V2000 -1.0996 7.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3293 3.5386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1906 0.7009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6603 1.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4707 0.6013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0010 -0.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0274 7.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0451 -0.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0451 1.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3419 0.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0996 6.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3293 5.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0438 4.7761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6162 0.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3306 -0.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4740 1.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4740 -1.4114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3293 6.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7596 -0.9989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7596 1.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1872 1.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3306 2.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1872 2.7137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7596 -8.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3306 -5.1239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4740 -3.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0438 3.9512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6162 1.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9017 1.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4741 -8.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3306 -5.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1885 -3.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4741 0.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0451 0.2386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6161 2.7136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1885 -0.9989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4728 2.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1885 -8.4238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0451 -6.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9030 -3.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6175 -3.4738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1885 -7.5989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6175 -2.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7596 -5.9489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7583 3.5387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4740 -7.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9030 -2.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7596 -5.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9017 3.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4727 1.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1885 -0.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3851 6.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7596 -0.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0451 1.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3307 1.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9017 2.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4740 -9.6614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6162 -6.3613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6162 3.5386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9030 -8.8363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0451 -7.1863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9030 -4.7114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3320 -3.8863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9030 -7.1864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3319 -2.2364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4727 3.9511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2373 3.8798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1872 3.5386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7976 5.7116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7596 -7.5988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0451 -4.7113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4740 -4.7114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1885 -2.6488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7583 2.7136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9030 -1.4114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4741 -6.3614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11 1 2 0 0 0 0 13 12 1 0 0 0 0 15 14 1 0 0 0 0 18 12 1 0 0 0 0 19 17 1 0 0 0 0 20 16 1 0 0 0 0 27 2 1 0 0 0 0 27 13 2 0 0 0 0 28 14 2 0 0 0 0 29 21 1 0 0 0 0 29 28 1 0 0 0 0 30 24 1 0 0 0 0 31 25 1 0 0 0 0 32 26 1 0 0 0 0 33 16 1 0 0 0 0 34 15 1 0 0 0 0 35 22 1 0 0 0 0 36 17 1 0 0 0 0 37 23 1 0 0 0 0 38 30 1 0 0 0 0 39 31 1 0 0 0 0 40 32 1 0 0 0 0 41 40 1 0 0 0 0 42 38 1 0 0 0 0 43 41 1 0 0 0 0 44 39 1 0 0 0 0 45 27 1 0 0 0 0 46 42 1 0 0 0 0 47 43 1 0 0 0 0 48 44 1 0 0 0 0 50 3 1 0 0 0 0 50 4 1 0 0 0 0 50 21 1 0 0 0 0 50 37 1 0 0 0 0 51 5 1 0 0 0 0 51 6 1 0 0 0 0 51 33 1 0 0 0 0 51 36 1 0 0 0 0 52 7 1 0 0 0 0 52 11 1 0 0 0 0 52 18 1 0 0 0 0 53 8 1 0 0 0 0 53 19 1 0 0 0 0 53 33 1 0 0 0 0 53 34 1 0 0 0 0 54 9 1 0 0 0 0 54 20 1 0 0 0 0 54 34 1 0 0 0 0 55 10 1 0 0 0 0 55 22 1 0 0 0 0 55 28 1 0 0 0 0 55 54 1 0 0 0 0 56 23 1 0 0 0 0 56 29 1 0 0 0 0 56 35 1 0 0 0 0 56 49 1 0 0 0 0 57 30 1 0 0 0 0 58 31 1 0 0 0 0 59 35 1 0 0 0 0 60 38 1 0 0 0 0 61 39 1 0 0 0 0 62 40 1 0 0 0 0 63 41 1 0 0 0 0 64 42 1 0 0 0 0 65 43 1 0 0 0 0 66 45 2 0 0 0 0 67 49 2 0 0 0 0 68 49 1 0 0 0 0 69 52 1 0 0 0 0 70 24 1 0 0 0 0 70 46 1 0 0 0 0 71 25 1 0 0 0 0 71 48 1 0 0 0 0 72 26 1 0 0 0 0 72 48 1 0 0 0 0 73 32 1 0 0 0 0 73 47 1 0 0 0 0 74 37 1 0 0 0 0 74 45 1 0 0 0 0 75 36 1 0 0 0 0 75 47 1 0 0 0 0 76 44 1 0 0 0 0 76 46 1 0 0 0 0 M END > FDB014028 > foodb > C\C(=C/CCC(C)(O)C=C)C(=O)OC1CC2(C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(COC7OCC(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5CCC34C)C2CC1(C)C)C(O)=O > InChI=1S/C56H88O20/c1-11-52(7,69)18-12-13-27(2)45(66)74-37-23-56(49(67)68)29(21-50(37,3)4)28-14-15-34-53(8)19-17-36(51(5,6)33(53)16-20-54(34,9)55(28,10)22-35(56)59)75-47-43(65)41(63)40(62)32(73-47)26-72-48-44(39(61)31(58)25-71-48)76-46-42(64)38(60)30(57)24-70-46/h11,13-14,29-44,46-48,57-65,69H,1,12,15-26H2,2-10H3,(H,67,68)/b27-13+ > YUSORMABKYDIFX-UVHMKAGCSA-N > C56H88O20 > 1081.2859 > 1080.586895256 > 19 > 118.33413382320416 > 0 > 11 > 0 > 0 > 10-({6-[({4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-5-hydroxy-3-{[(2E)-6-hydroxy-2,6-dimethylocta-2,7-dienoyl]oxy}-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 > 2.44 > 2.8183637560000028 > -4.66 > 1 > 8 > -1 > 11.89132902978756 > 4.426578359988528 > -3.5268772380269153 > 321.2800000000001 > 270.402 > 15 > 0 > 2.37e-02 g/l > 10-({6-[({4,5-dihydroxy-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-5-hydroxy-3-{[(2E)-6-hydroxy-2,6-dimethylocta-2,7-dienoyl]oxy}-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 > FDB014028 > Pithecelloside $$$$