Mrv0541 05061309102D 88 96 0 0 0 0 999 V2000 13.2038 4.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6327 2.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9183 1.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3051 2.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2445 2.4668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2025 -0.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0183 -2.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6388 -0.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9183 3.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6314 0.5973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9170 0.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9170 -2.2901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7735 -1.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4880 -0.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6314 -1.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0604 1.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0604 -1.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6302 1.8348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7723 -3.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0578 -1.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9577 -2.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4893 -0.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9183 3.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9182 0.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3459 0.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0604 0.5973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0578 -1.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9157 1.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4867 -3.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2025 -1.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9170 -0.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7748 -0.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7736 -1.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7722 -0.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2012 1.8348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4867 -4.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4867 1.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2012 -4.7652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4867 0.5973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9157 -4.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9157 -1.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9157 -1.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6302 -0.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4867 -1.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6301 -2.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4893 1.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4893 0.5973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9248 0.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2038 2.6598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2012 0.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9157 -3.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4867 -1.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3446 -1.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7748 1.8348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2025 -1.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4880 -2.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6315 -1.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3459 -0.6402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7749 0.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6301 2.6598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0578 -3.5277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2399 -3.6974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4893 -1.0527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6327 0.1848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3433 -0.6402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1104 -1.3938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7723 0.1848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2012 2.6598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7723 -4.7652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7722 1.8348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2012 -5.5901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6662 0.6835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6301 -4.7651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1676 -1.2124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6687 0.2483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6481 0.8252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4893 3.0723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7723 -2.2902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2038 0.1849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9157 0.5974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2012 -3.1152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0591 -2.2902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2012 -2.2902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3446 -1.0527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2012 -0.6402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6301 -3.1152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2038 1.8348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3460 -1.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9 1 1 0 0 0 0 11 10 1 0 0 0 0 14 13 1 0 0 0 0 15 12 1 0 0 0 0 23 2 1 0 0 0 0 23 9 2 0 0 0 0 24 3 1 0 0 0 0 25 10 2 0 0 0 0 26 16 1 0 0 0 0 26 25 1 0 0 0 0 27 20 1 0 0 0 0 28 18 1 0 0 0 0 29 19 1 0 0 0 0 30 12 1 0 0 0 0 31 11 1 0 0 0 0 32 17 1 0 0 0 0 33 13 1 0 0 0 0 34 27 1 0 0 0 0 35 28 1 0 0 0 0 36 29 1 0 0 0 0 37 35 1 0 0 0 0 38 36 1 0 0 0 0 39 37 1 0 0 0 0 40 38 1 0 0 0 0 42 41 1 0 0 0 0 43 41 1 0 0 0 0 44 34 1 0 0 0 0 45 42 1 0 0 0 0 47 46 1 0 0 0 0 48 43 1 0 0 0 0 49 23 1 0 0 0 0 50 39 1 0 0 0 0 51 40 1 0 0 0 0 52 44 1 0 0 0 0 53 45 1 0 0 0 0 54 4 1 0 0 0 0 54 5 1 0 0 0 0 54 16 1 0 0 0 0 54 46 1 0 0 0 0 55 6 1 0 0 0 0 55 14 1 0 0 0 0 55 30 1 0 0 0 0 55 31 1 0 0 0 0 56 7 1 0 0 0 0 56 21 1 0 0 0 0 56 30 1 0 0 0 0 56 33 1 0 0 0 0 57 8 1 0 0 0 0 57 15 1 0 0 0 0 57 31 1 0 0 0 0 58 17 1 0 0 0 0 58 25 1 0 0 0 0 58 57 1 0 0 0 0 59 22 1 0 0 0 0 59 26 1 0 0 0 0 59 32 1 0 0 0 0 59 47 1 0 0 0 0 60 18 1 0 0 0 0 61 19 1 0 0 0 0 62 21 2 0 0 0 0 63 22 1 0 0 0 0 64 24 2 0 0 0 0 65 27 1 0 0 0 0 66 32 1 0 0 0 0 67 34 1 0 0 0 0 68 35 1 0 0 0 0 69 36 1 0 0 0 0 70 37 1 0 0 0 0 71 38 1 0 0 0 0 72 39 1 0 0 0 0 73 40 1 0 0 0 0 74 41 1 0 0 0 0 75 48 2 0 0 0 0 76 48 1 0 0 0 0 77 49 2 0 0 0 0 78 20 1 0 0 0 0 78 52 1 0 0 0 0 79 24 1 0 0 0 0 79 47 1 0 0 0 0 80 28 1 0 0 0 0 80 50 1 0 0 0 0 81 29 1 0 0 0 0 81 51 1 0 0 0 0 82 33 1 0 0 0 0 82 53 1 0 0 0 0 83 42 1 0 0 0 0 83 52 1 0 0 0 0 84 43 1 0 0 0 0 84 53 1 0 0 0 0 85 44 1 0 0 0 0 85 50 1 0 0 0 0 86 45 1 0 0 0 0 86 51 1 0 0 0 0 87 46 1 0 0 0 0 87 49 1 0 0 0 0 58 88 1 0 0 0 0 M END > CHEM030197 > chemdb > C\C=C(\C)C(=O)OC1C(OC(C)=O)C2(CO)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)C(OC7OCC(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(O)=O)C(C)(C=O)C5CCC34C)C2CC1(C)C > InChI=1S/C60H92O28/c1-10-24(2)50(78)88-47-48(80-25(3)65)60(23-64)27(17-55(47,4)5)26-11-12-32-56(6)15-14-34(57(7,22-63)31(56)13-16-58(32,8)59(26,9)18-33(60)67)83-54-46(87-52-41(74)39(72)37(70)30(20-62)82-52)43(42(75)44(85-54)49(76)77)84-53-45(35(68)28(66)21-79-53)86-51-40(73)38(71)36(69)29(19-61)81-51/h10-11,22,27-48,51-54,61-62,64,66-75H,12-21,23H2,1-9H3,(H,76,77)/b24-10- > QOKFVEFNMFPQEC-VROXFSQNSA-N > C60H92O28 > 1261.3557 > 1260.57751236 > 26 > 131.54883178655635 > 0 > 14 > 0 > 0 > 6-{[9-(acetyloxy)-4-formyl-8-hydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-{[(2Z)-2-methylbut-2-enoyl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-4-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid > 0.65 > -1.7038427143333292 > -2.87 > 1 > 9 > -1 > 11.910327998948492 > 3.2286764649149196 > -3.6786228428834624 > 443.8000000000002 > 295.25169999999986 > 18 > 0 > 1.71e+00 g/l > 6-{[9-(acetyloxy)-4-formyl-8-hydroxy-8a-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-{[(2Z)-2-methylbut-2-enoyl]oxy}-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-4-[(4,5-dihydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid > 0 > Assamsaponin G > 316157-16-1 $$$$