Mrv0541 02241221032D 125128 0 0 0 0 999 V2000 -5.0792 -0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3648 -0.8850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6503 -0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6503 0.3525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9358 -0.8850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2214 -0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5069 -0.8850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7924 -0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0779 -0.8850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0779 -1.7100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7924 -2.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5069 -1.7100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7924 -2.9475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5069 -3.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2214 -2.9475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5069 -4.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2214 -4.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6365 -2.1225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6365 -2.9475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0779 -3.3600 0.0000 O 0 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C 0 0 0 0 0 0 0 0 0 0 0 0 10.0205 -1.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7350 -2.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4495 -1.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4495 -0.7914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1639 -2.0289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1639 -2.8539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4495 -3.2664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8784 -3.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7350 -2.8539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0205 -3.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3061 -2.8539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0205 -4.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3061 -2.0289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5916 -1.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5916 -0.7914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8771 -2.0289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3061 -0.3789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3061 0.4461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5916 0.8586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5916 1.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3061 2.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0205 1.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0205 0.8586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7350 2.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4495 1.6836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1639 2.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8784 1.6836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1639 2.9211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3061 2.9211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5916 3.3336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8771 2.9211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5916 4.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8771 2.0961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1626 1.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1626 0.8586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4482 2.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8771 0.4461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8771 -0.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1626 -0.7914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2127 -1.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3668 -6.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3668 -7.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0813 -7.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0813 -8.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3668 -9.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6523 -8.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6523 -7.8975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0621 -9.1350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7766 -8.7225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4911 -9.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2055 -8.7225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2055 -7.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4911 -7.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7766 -7.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0621 -7.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4911 -6.6600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9200 -7.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4911 -9.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2055 -10.3725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3668 -9.9600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7958 -9.1350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7958 -7.4850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6523 -6.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 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 10 11 1 0 0 0 0 11 12 1 0 0 0 0 7 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 10 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 9 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 8 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 29 34 1 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 32 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 44 45 1 0 0 0 0 31 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 2 0 0 0 0 47 49 1 0 0 0 0 49 50 1 0 0 0 0 30 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 52 54 1 0 0 0 0 54 55 1 0 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 57 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 61 66 1 0 0 0 0 65 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 2 0 0 0 0 68 70 1 0 0 0 0 64 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 2 0 0 0 0 72 74 1 0 0 0 0 63 75 1 0 0 0 0 75 76 1 0 0 0 0 76 77 2 0 0 0 0 76 78 1 0 0 0 0 62 79 1 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 80 85 1 0 0 0 0 84 86 1 0 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 88 89 2 0 0 0 0 88 90 1 0 0 0 0 83 91 1 0 0 0 0 91 92 1 0 0 0 0 92 93 2 0 0 0 0 92 94 1 0 0 0 0 82 95 1 0 0 0 0 95 96 1 0 0 0 0 96 97 2 0 0 0 0 96 98 1 0 0 0 0 81 99 1 0 0 0 0 99100 1 0 0 0 0 100101 2 0 0 0 0 100102 1 0 0 0 0 103104 1 0 0 0 0 104105 1 0 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 104109 1 0 0 0 0 108110 1 0 0 0 0 110111 1 0 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 115116 1 0 0 0 0 111116 1 0 0 0 0 116117 1 0 0 0 0 115118 1 0 0 0 0 114119 1 0 0 0 0 112120 1 0 0 0 0 120121 1 0 0 0 0 107122 1 0 0 0 0 106123 1 0 0 0 0 105124 1 0 0 0 0 103125 1 0 0 0 0 M END > FDB001183 > foodb > OCC1OC(OC2C(O)C(O)C(O)OC2CO)C(O)C(O)C1O.CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC1OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O.CCC(=O)OCC1OC(OC(=O)CC)C(OC(=O)CC)C(OC(=O)CC)C1OC1OC(COC(=O)CC)C(OC(=O)CC)C(OC(=O)CC)C1OC(=O)CC > InChI=1S/C36H54O19.C28H38O19.C12H22O11/c1-9-21(37)45-17-19-29(49-23(39)11-3)31(50-24(40)12-4)34(53-27(43)15-7)36(48-19)55-30-20(18-46-22(38)10-2)47-35(54-28(44)16-8)33(52-26(42)14-6)32(30)51-25(41)13-5;1-11(29)37-9-19-21(39-13(3)31)23(40-14(4)32)26(43-17(7)35)28(46-19)47-22-20(10-38-12(2)30)45-27(44-18(8)36)25(42-16(6)34)24(22)41-15(5)33;13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h19-20,29-36H,9-18H2,1-8H3;19-28H,9-10H2,1-8H3;3-20H,1-2H2 > HKQOBOMRSSHSTC-UHFFFAOYSA-N > C76H114O49 > 1811.689 > 1810.642870126 > 11 > 79.00127192450896 > 0 > 0 > 0 > 0 > 2-(hydroxymethyl)-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxane-3,4,5-triol; [4,5,6-tris(acetyloxy)-3-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate; [4,5,6-tris(propanoyloxy)-3-{[3,4,5-tris(propanoyloxy)-6-[(propanoyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl propanoate > 4.429915194999998 > 1 > 6 > 0 > -3.916788885961713 > 238.08999999999995 > 178.5639000000001 > 52 > 0 > [4,5,6-tris(acetyloxy)-3-{[3,4,5-tris(acetyloxy)-6-[(acetyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl acetate; [4,5,6-tris(propanoyloxy)-3-{[3,4,5-tris(propanoyloxy)-6-[(propanoyloxy)methyl]oxan-2-yl]oxy}oxan-2-yl]methyl propanoate; cellulose > 0 > FDB001183 > Cellulose acetate $$$$