Mrv0541 02241219012D 91 99 0 0 0 0 999 V2000 -1.5329 -2.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5329 -2.8866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8167 -3.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1017 -2.8866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1017 -2.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8167 -1.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6145 -3.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3295 -2.8866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3295 -2.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6145 -1.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 -1.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3295 -0.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6145 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7539 -2.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4634 -1.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4634 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7539 -0.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1687 -0.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1687 0.3993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4634 0.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7539 0.3993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2318 -4.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4028 -4.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3295 -1.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0417 -2.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2479 -3.3004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 -4.0195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1017 -1.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1783 -2.0589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1783 -1.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0032 -1.2298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0509 1.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8758 1.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8836 0.8118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8836 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2975 1.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1224 1.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8836 2.2403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5335 0.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5335 2.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1210 2.9553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1783 -2.8866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8933 -3.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4634 -3.3004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5985 -0.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3135 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5985 0.4089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9628 -2.8866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9628 -2.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6737 -1.6477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3900 -2.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3900 -2.8866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6737 -3.3004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1050 -3.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1050 -4.1240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1050 -1.6477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6737 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2479 -1.6477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3900 -0.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3900 0.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1050 0.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8186 0.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8186 -0.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1050 -0.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5335 0.8270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1050 1.6520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6737 0.8270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6737 1.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9628 2.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9628 2.8866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6737 3.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3900 2.8866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3900 2.0630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1050 3.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8186 2.8866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6737 4.1240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2479 3.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2479 1.6520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2479 -0.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5329 -0.4159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5329 0.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2479 0.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9628 0.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9628 -0.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8167 0.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1017 0.4089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7877 0.4089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7877 -0.4159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5329 1.2394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8186 -2.8866 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 27 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 29 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 25 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 26 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 30 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 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 24 28 2 0 0 0 0 27 49 1 0 0 0 0 30 43 1 0 0 0 0 31 32 1 0 0 0 0 35 37 1 0 0 0 0 36 46 1 0 0 0 0 37 38 1 0 0 0 0 37 39 2 0 0 0 0 38 40 1 0 0 0 0 38 41 2 0 0 0 0 41 42 1 0 0 0 0 43 44 1 0 0 0 0 43 45 2 0 0 0 0 46 47 1 0 0 0 0 46 48 2 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 50 51 1 0 0 0 0 50 59 1 0 0 0 0 51 52 1 0 0 0 0 51 58 1 0 0 0 0 52 53 1 0 0 0 0 52 57 1 0 0 0 0 53 54 1 0 0 0 0 53 55 1 0 0 0 0 55 56 1 0 0 0 0 55 91 2 0 0 0 0 58 60 1 0 0 0 0 59 80 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 61 62 1 0 0 0 0 61 68 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 63 64 1 0 0 0 0 63 66 1 0 0 0 0 64 65 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 70 71 1 0 0 0 0 70 79 1 0 0 0 0 71 72 1 0 0 0 0 71 78 1 0 0 0 0 72 73 1 0 0 0 0 72 77 1 0 0 0 0 73 74 1 0 0 0 0 73 75 1 0 0 0 0 75 76 1 0 0 0 0 80 81 1 0 0 0 0 80 85 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 82 86 1 0 0 0 0 83 84 1 0 0 0 0 83 90 1 0 0 0 0 84 85 1 0 0 0 0 84 88 1 0 0 0 0 85 89 1 0 0 0 0 86 87 1 0 0 0 0 M END > CHEM030196 > chemdb > C\C=C(\C)C(=O)OC1C(OC(C)=O)C2(CO)C(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)OC(C)=O > InChI=1S/C62H94O29/c1-11-25(2)52(80)91-49-50(83-27(4)68)62(24-66)29(18-57(49,5)6)28-12-13-34-58(7)16-15-35(59(8,23-65)33(58)14-17-60(34,9)61(28,10)19-36(62)82-26(3)67)86-56-48(90-54-43(76)41(74)39(72)32(21-64)85-54)45(44(77)46(88-56)51(78)79)87-55-47(37(70)30(69)22-81-55)89-53-42(75)40(73)38(71)31(20-63)84-53/h11-12,23,29-50,53-56,63-64,66,69-77H,13-22,24H2,1-10H3,(H,78,79)/b25-11- > BJFNIGZQPQQAFL-GATIEOLUSA-N > C62H94O29 > 1303.3924 > 1302.588077046 > 26 > 134.01565974715788 > 0 > 13 > 0 > 0 > 6-{[8,9-bis(acetyloxy)-4-formyl-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 > 1.07 > -1.2627173040000024 > -3.22 > 1 > 9 > -1 > 11.910327998948492 > 3.2286764649149196 > -3.6786228428834624 > 449.87000000000006 > 304.40319999999997 > 20 > 0 > 7.86e-01 g/l > 6-{[8,9-bis(acetyloxy)-4-formyl-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 F > 316157-15-0 $$$$