Mrv0541 05061309262D 125137 0 0 0 0 999 V2000 -1.4968 -6.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9914 2.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0768 -1.5253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0781 -1.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8796 -2.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6886 3.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7492 3.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6465 0.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4623 -2.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0828 0.5372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7900 -0.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0755 1.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3610 0.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3610 -1.5253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7824 -0.2878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0679 0.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0755 -1.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9334 2.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9334 1.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5044 2.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 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O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0679 -4.8253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6466 -3.5878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9334 -0.2878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6491 -1.9379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2202 4.6622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2113 -5.2378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5057 1.7747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3623 -0.2878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5057 -0.7003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0768 4.2497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2113 -1.1128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2202 -0.2878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4969 -1.5253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9347 3.4246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9258 -4.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5058 4.2497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7824 -2.7628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5057 0.9497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9258 -2.3503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0768 1.7747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6478 0.9497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13 12 1 0 0 0 0 16 15 1 0 0 0 0 17 14 1 0 0 0 0 19 18 1 0 0 0 0 27 1 1 0 0 0 0 28 2 1 0 0 0 0 29 3 1 0 0 0 0 30 4 1 0 0 0 0 31 5 1 0 0 0 0 32 12 2 0 0 0 0 33 20 1 0 0 0 0 33 32 1 0 0 0 0 34 24 1 0 0 0 0 35 22 1 0 0 0 0 36 23 1 0 0 0 0 37 25 1 0 0 0 0 38 14 1 0 0 0 0 39 13 1 0 0 0 0 40 21 1 0 0 0 0 41 15 1 0 0 0 0 42 27 1 0 0 0 0 43 34 1 0 0 0 0 44 35 1 0 0 0 0 45 36 1 0 0 0 0 46 37 1 0 0 0 0 47 42 1 0 0 0 0 48 44 1 0 0 0 0 49 45 1 0 0 0 0 50 46 1 0 0 0 0 51 43 1 0 0 0 0 52 47 1 0 0 0 0 53 48 1 0 0 0 0 54 49 1 0 0 0 0 55 50 1 0 0 0 0 58 28 1 0 0 0 0 59 29 1 0 0 0 0 60 56 1 0 0 0 0 61 57 1 0 0 0 0 61 58 1 0 0 0 0 62 56 1 0 0 0 0 63 59 1 0 0 0 0 64 60 1 0 0 0 0 65 63 1 0 0 0 0 66 62 1 0 0 0 0 67 51 1 0 0 0 0 68 52 1 0 0 0 0 69 53 1 0 0 0 0 70 54 1 0 0 0 0 71 55 1 0 0 0 0 72 57 1 0 0 0 0 73 65 1 0 0 0 0 74 64 1 0 0 0 0 76 6 1 0 0 0 0 76 7 1 0 0 0 0 76 18 1 0 0 0 0 76 20 1 0 0 0 0 77 8 1 0 0 0 0 77 16 1 0 0 0 0 77 38 1 0 0 0 0 77 39 1 0 0 0 0 78 9 1 0 0 0 0 78 26 1 0 0 0 0 78 38 1 0 0 0 0 78 41 1 0 0 0 0 79 10 1 0 0 0 0 79 17 1 0 0 0 0 79 39 1 0 0 0 0 80 11 1 0 0 0 0 80 21 1 0 0 0 0 80 32 1 0 0 0 0 80 79 1 0 0 0 0 81 19 1 0 0 0 0 81 33 1 0 0 0 0 81 40 1 0 0 0 0 81 75 1 0 0 0 0 82 22 1 0 0 0 0 83 23 1 0 0 0 0 84 26 2 0 0 0 0 85 30 2 0 0 0 0 86 31 2 0 0 0 0 87 34 1 0 0 0 0 88 40 1 0 0 0 0 89 42 1 0 0 0 0 90 43 1 0 0 0 0 91 44 1 0 0 0 0 92 45 1 0 0 0 0 93 46 1 0 0 0 0 94 47 1 0 0 0 0 95 48 1 0 0 0 0 96 49 1 0 0 0 0 97 50 1 0 0 0 0 98 51 1 0 0 0 0 99 52 1 0 0 0 0 100 53 1 0 0 0 0 101 54 1 0 0 0 0 102 55 1 0 0 0 0 103 56 1 0 0 0 0 104 57 1 0 0 0 0 105 66 2 0 0 0 0 106 66 1 0 0 0 0 107 75 2 0 0 0 0 108 25 1 0 0 0 0 108 30 1 0 0 0 0 109 24 1 0 0 0 0 109 67 1 0 0 0 0 110 27 1 0 0 0 0 110 68 1 0 0 0 0 111 28 1 0 0 0 0 111 72 1 0 0 0 0 112 29 1 0 0 0 0 112 73 1 0 0 0 0 113 31 1 0 0 0 0 113 59 1 0 0 0 0 114 35 1 0 0 0 0 114 69 1 0 0 0 0 115 36 1 0 0 0 0 115 70 1 0 0 0 0 116 37 1 0 0 0 0 116 71 1 0 0 0 0 117 41 1 0 0 0 0 117 74 1 0 0 0 0 118 58 1 0 0 0 0 118 67 1 0 0 0 0 119 60 1 0 0 0 0 119 68 1 0 0 0 0 120 61 1 0 0 0 0 120 69 1 0 0 0 0 121 62 1 0 0 0 0 121 74 1 0 0 0 0 122 63 1 0 0 0 0 122 71 1 0 0 0 0 123 64 1 0 0 0 0 123 70 1 0 0 0 0 124 65 1 0 0 0 0 124 72 1 0 0 0 0 125 73 1 0 0 0 0 125 75 1 0 0 0 0 M END > FDB015923 > foodb > CC1OC(OC2C(O)C(OC(OC3CCC4(C)C(CCC5(C)C4CC=C4C6CC(C)(C)CCC6(C(O)CC54C)C(=O)OC4OC(C)C(OC(C)=O)C(OC5OC(COC(C)=O)C(O)C(O)C5O)C4OC4OC(C)C(OC5OCC(O)C(O)C5O)C(OC5OC(CO)C(O)C(O)C5O)C4O)C3(C)C=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)=O)C(O)C(O)C1O > InChI=1S/C81H126O44/c1-27-42(89)47(94)52(99)68(110-27)119-60-56(103)62(66(105)106)121-74(64(60)123-70-54(101)49(96)45(92)36(23-83)115-70)117-41-15-16-77(8)38(78(41,9)26-84)14-17-79(10)39(77)13-12-32-33-20-76(6,7)18-19-81(33,40(88)21-80(32,79)11)75(107)125-73-65(63(59(29(3)112-73)113-31(5)86)122-71-55(102)50(97)46(93)37(116-71)25-108-30(4)85)124-72-57(104)61(120-69-53(100)48(95)44(91)35(22-82)114-69)58(28(2)111-72)118-67-51(98)43(90)34(87)24-109-67/h12,26-29,33-65,67-74,82-83,87-104H,13-25H2,1-11H3,(H,105,106) > VKCJVAKTFKLQPX-UHFFFAOYSA-N > C81H126O44 > 1803.8407 > 1802.7621974 > 41 > 180.60676759255003 > 0 > 21 > 0 > 0 > 6-{[8a-({[5-(acetyloxy)-4-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-3-[(3-hydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)oxy]-6-methyloxan-2-yl]oxy}carbonyl)-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-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-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acid > 0.23 > -5.293228699333339 > -2.42 > 1 > 13 > -1 > 11.59272362788613 > 3.319888317656912 > -3.947061848387688 > 676.3200000000004 > 402.83289999999954 > 26 > 0 > 6.91e+00 g/l > 6-{[8a-({[5-(acetyloxy)-4-({6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl}oxy)-3-[(3-hydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)oxy]-6-methyloxan-2-yl]oxy}carbonyl)-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy}-3-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acid > 0 > FDB015923 > Quillaic acid 3-[galactosyl-(1->2)-[rhamnosyl-(1->3)]-glucuronide] 28-[6-acetyl-glucosyl-(1->3)-[glucosyl-(1->3)-[xylosyl-(1->4)]-rhamnosyl-(1->2)]-4-acetyl-fucosyl] ester $$$$