Mrv0541 05061309292D 111122 0 0 0 0 999 V2000 -4.6589 1.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2068 3.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2016 -0.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3450 -1.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8134 4.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8740 4.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7713 1.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5871 -1.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2099 1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9145 0.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2003 2.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4858 1.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4858 -0.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3424 0.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0569 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2003 -0.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0582 3.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0582 2.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 3.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6292 0.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 10.3450 1.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5155 -1.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4871 1.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0865 -0.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0582 1.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3437 3.4150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7714 0.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0569 -0.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2003 0.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9142 0.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3437 1.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7739 -1.1225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5155 -4.4225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8088 -2.1172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9161 -1.1225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0595 7.5400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6793 0.1863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0878 0.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4884 6.7150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4884 0.1150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6589 -3.1850 0.0000 O 0 0 0 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O 0 0 0 0 0 0 0 0 0 0 0 0 11.0595 4.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2299 -0.7100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0865 0.5275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6305 1.7650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8010 -1.5350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2016 2.5900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7726 1.7650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12 11 1 0 0 0 0 15 14 1 0 0 0 0 16 13 1 0 0 0 0 18 17 1 0 0 0 0 25 1 1 0 0 0 0 26 2 1 0 0 0 0 27 3 1 0 0 0 0 28 4 1 0 0 0 0 29 11 2 0 0 0 0 30 19 1 0 0 0 0 30 29 1 0 0 0 0 31 23 1 0 0 0 0 32 21 1 0 0 0 0 33 22 1 0 0 0 0 34 13 1 0 0 0 0 35 12 1 0 0 0 0 36 20 1 0 0 0 0 37 14 1 0 0 0 0 38 25 1 0 0 0 0 39 31 1 0 0 0 0 40 32 1 0 0 0 0 41 33 1 0 0 0 0 42 38 1 0 0 0 0 43 40 1 0 0 0 0 44 41 1 0 0 0 0 46 39 1 0 0 0 0 47 42 1 0 0 0 0 48 43 1 0 0 0 0 49 44 1 0 0 0 0 50 45 1 0 0 0 0 52 26 1 0 0 0 0 52 45 1 0 0 0 0 53 27 1 0 0 0 0 54 51 1 0 0 0 0 55 51 1 0 0 0 0 56 53 1 0 0 0 0 57 54 1 0 0 0 0 58 56 1 0 0 0 0 59 55 1 0 0 0 0 60 46 1 0 0 0 0 61 47 1 0 0 0 0 62 50 1 0 0 0 0 63 48 1 0 0 0 0 64 49 1 0 0 0 0 65 58 1 0 0 0 0 66 57 1 0 0 0 0 68 5 1 0 0 0 0 68 6 1 0 0 0 0 68 17 1 0 0 0 0 68 19 1 0 0 0 0 69 7 1 0 0 0 0 69 15 1 0 0 0 0 69 34 1 0 0 0 0 69 35 1 0 0 0 0 70 8 1 0 0 0 0 70 24 1 0 0 0 0 70 34 1 0 0 0 0 70 37 1 0 0 0 0 71 9 1 0 0 0 0 71 16 1 0 0 0 0 71 35 1 0 0 0 0 72 10 1 0 0 0 0 72 20 1 0 0 0 0 72 29 1 0 0 0 0 72 71 1 0 0 0 0 73 18 1 0 0 0 0 73 30 1 0 0 0 0 73 36 1 0 0 0 0 73 67 1 0 0 0 0 74 21 1 0 0 0 0 75 22 1 0 0 0 0 76 24 2 0 0 0 0 77 28 2 0 0 0 0 78 31 1 0 0 0 0 79 36 1 0 0 0 0 80 38 1 0 0 0 0 81 39 1 0 0 0 0 82 40 1 0 0 0 0 83 41 1 0 0 0 0 84 42 1 0 0 0 0 85 43 1 0 0 0 0 86 44 1 0 0 0 0 87 45 1 0 0 0 0 88 46 1 0 0 0 0 89 47 1 0 0 0 0 90 48 1 0 0 0 0 91 49 1 0 0 0 0 92 50 1 0 0 0 0 93 51 1 0 0 0 0 94 59 2 0 0 0 0 95 59 1 0 0 0 0 96 67 2 0 0 0 0 97 23 1 0 0 0 0 97 60 1 0 0 0 0 98 25 1 0 0 0 0 98 61 1 0 0 0 0 99 26 1 0 0 0 0 99 62 1 0 0 0 0 100 27 1 0 0 0 0 100 65 1 0 0 0 0 101 28 1 0 0 0 0 101 53 1 0 0 0 0 102 32 1 0 0 0 0 102 63 1 0 0 0 0 103 33 1 0 0 0 0 103 64 1 0 0 0 0 104 37 1 0 0 0 0 104 66 1 0 0 0 0 105 52 1 0 0 0 0 105 60 1 0 0 0 0 106 54 1 0 0 0 0 106 61 1 0 0 0 0 107 55 1 0 0 0 0 107 66 1 0 0 0 0 108 56 1 0 0 0 0 108 63 1 0 0 0 0 109 57 1 0 0 0 0 109 64 1 0 0 0 0 110 58 1 0 0 0 0 110 62 1 0 0 0 0 111 65 1 0 0 0 0 111 67 1 0 0 0 0 M END > FDB015929 > 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(CO)C(O)C(O)C5O)C4OC4OC(C)C(OC5OCC(O)C(O)C5O)C(O)C4O)C3(C)C=O)C2OC2OC(CO)C(O)C(O)C2O)C(O)=O)C(O)C(O)C1O > InChI=1S/C73H114O38/c1-25-38(80)42(84)47(89)61(98-25)106-54-51(93)55(59(94)95)107-66(57(54)109-64-49(91)44(86)41(83)33(22-75)103-64)104-37-14-15-69(7)34(70(37,8)24-76)13-16-71(9)35(69)12-11-29-30-19-68(5,6)17-18-73(30,36(79)20-72(29,71)10)67(96)111-65-58(110-62-50(92)45(87)52(26(2)99-62)105-60-46(88)39(81)31(78)23-97-60)56(53(27(3)100-65)101-28(4)77)108-63-48(90)43(85)40(82)32(21-74)102-63/h11,24-27,30-58,60-66,74-75,78-93H,12-23H2,1-10H3,(H,94,95) > BDQOUIBLWSGNMU-UHFFFAOYSA-N > C73H114O38 > 1599.6635 > 1598.698809284 > 36 > 162.37201010103155 > 0 > 19 > 0 > 0 > 6-{[8a-({[5-(acetyloxy)-3-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-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 > 0.20 > -3.963518464000001 > -2.56 > 1 > 12 > -1 > 11.65969932270314 > 3.319888317926958 > -3.7391452276049515 > 591.1000000000004 > 361.2680999999996 > 21 > 0 > 4.36e+00 g/l > 6-{[8a-({[5-(acetyloxy)-3-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-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 > FDB015929 > Quillaic acid 3-[galactosyl-(1->2)-[rhamnosyl-(1->3)]-glucuronide] 28-[glucosyl-(1->3)-[xylosyl-(1->4)-rhamnosyl-(1->2)]-4-acetyl-fucosyl] ester $$$$