Mrv0541 08131209402D 113119 0 0 0 0 999 V2000 -1.4025 0.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6696 -0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9281 -6.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4342 -2.9817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5863 -6.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8001 -2.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6559 -2.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1324 -0.3328 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3995 -1.1453 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1983 -6.6537 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.5435 -3.4647 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6575 -6.5433 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8320 -3.6856 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6878 -3.5752 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8304 0.1070 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.0200 -1.0468 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1664 -7.4781 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.2734 -3.8493 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6894 -7.3677 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1340 -4.1254 0.0000 C 0 0 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0 0 0 0 0 0 0 0 0 0 0 -4.6696 -3.1742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1977 -5.7741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1475 -4.3443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4814 -5.6085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6240 -1.9264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8136 -3.0802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2957 -7.0702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9092 -5.5533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8152 -6.8727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6256 -5.7189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0535 -5.6637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 1 0 0 0 9 2 1 1 0 0 0 10 3 1 6 0 0 0 11 4 1 1 0 0 0 12 5 1 6 0 0 0 13 6 1 6 0 0 0 14 7 1 1 0 0 0 15 8 1 0 0 0 0 16 9 1 0 0 0 0 17 10 1 0 0 0 0 18 11 1 0 0 0 0 19 12 1 0 0 0 0 20 13 1 0 0 0 0 21 15 1 0 0 0 0 22 16 1 0 0 0 0 23 17 1 0 0 0 0 24 18 1 0 0 0 0 25 19 1 0 0 0 0 26 20 1 0 0 0 0 27 21 1 0 0 0 0 28 22 1 0 0 0 0 29 23 1 0 0 0 0 30 24 1 0 0 0 0 31 25 1 0 0 0 0 32 14 1 0 0 0 0 33 26 1 0 0 0 0 34 32 1 0 0 0 0 35 34 1 0 0 0 0 36 27 1 0 0 0 0 37 28 1 0 0 0 0 38 29 1 0 0 0 0 39 30 1 0 0 0 0 40 31 1 0 0 0 0 41 33 1 0 0 0 0 42 35 1 0 0 0 0 43 1 1 0 0 0 0 44 2 1 0 0 0 0 45 3 1 0 0 0 0 46 4 1 0 0 0 0 47 5 1 0 0 0 0 48 6 1 0 0 0 0 15 49 1 6 0 0 0 16 50 1 6 0 0 0 17 51 1 1 0 0 0 18 52 1 6 0 0 0 19 53 1 1 0 0 0 20 54 1 1 0 0 0 21 55 1 1 0 0 0 22 56 1 1 0 0 0 23 57 1 6 0 0 0 24 58 1 1 0 0 0 25 59 1 6 0 0 0 26 60 1 6 0 0 0 27 61 1 6 0 0 0 28 62 1 6 0 0 0 29 63 1 1 0 0 0 30 64 1 6 0 0 0 31 65 1 1 0 0 0 66 7 1 0 0 0 0 36 66 1 6 0 0 0 67 8 1 0 0 0 0 67 36 1 0 0 0 0 68 9 1 0 0 0 0 68 37 1 0 0 0 0 69 10 1 0 0 0 0 69 38 1 0 0 0 0 70 11 1 0 0 0 0 70 39 1 0 0 0 0 71 12 1 0 0 0 0 71 40 1 0 0 0 0 72 13 1 0 0 0 0 72 41 1 0 0 0 0 73 14 1 0 0 0 0 73 42 1 0 0 0 0 32 74 1 6 0 0 0 37 74 1 6 0 0 0 33 75 1 1 0 0 0 38 75 1 1 0 0 0 34 76 1 1 0 0 0 39 76 1 6 0 0 0 35 77 1 6 0 0 0 40 77 1 1 0 0 0 41 78 1 1 0 0 0 78 42 1 0 0 0 0 8 79 1 6 0 0 0 9 80 1 6 0 0 0 10 81 1 1 0 0 0 11 82 1 6 0 0 0 12 83 1 1 0 0 0 13 84 1 1 0 0 0 14 85 1 6 0 0 0 15 86 1 1 0 0 0 16 87 1 1 0 0 0 17 88 1 6 0 0 0 18 89 1 1 0 0 0 19 90 1 6 0 0 0 20 91 1 6 0 0 0 21 92 1 6 0 0 0 22 93 1 6 0 0 0 23 94 1 1 0 0 0 24 95 1 6 0 0 0 25 96 1 1 0 0 0 26 97 1 1 0 0 0 27 98 1 1 0 0 0 28 99 1 1 0 0 0 29100 1 6 0 0 0 30101 1 1 0 0 0 31102 1 6 0 0 0 32103 1 1 0 0 0 33104 1 6 0 0 0 34105 1 6 0 0 0 35106 1 1 0 0 0 36107 1 1 0 0 0 37108 1 1 0 0 0 38109 1 6 0 0 0 39110 1 1 0 0 0 40111 1 6 0 0 0 41112 1 6 0 0 0 113 42 1 0 0 0 0 M END > M2MDB001177 > M2MDB > [H][C@]1(O)[C@]([H])(O)[C@@]([H])(CO)O[C@]([H])(OC[C@@]2([H])OC([H])(O[C@@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O[C@@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@]([H])(O[C@@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@@]([H])(O[C@@]3([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@]2([H])O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]1([H])O > InChI=1S/C42H72O36/c43-1-8-15(49)21(55)27(61)36(67-8)66-7-14-32(74-37-28(62)22(56)16(50)9(2-44)68-37)34(76-39-30(64)24(58)18(52)11(4-46)70-39)35(77-40-31(65)25(59)19(53)12(5-47)71-40)42(73-14)78-41-33(26(60)20(54)13(6-48)72-41)75-38-29(63)23(57)17(51)10(3-45)69-38/h8-65H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23+,24+,25+,26+,27-,28-,29-,30-,31-,32-,33-,34+,35-,36+,37-,38-,39-,40-,41-,42?/m1/s1 > WWDPIUOBYLGGIJ-KIXFCQHQSA-N > C42H72O36 > 1152.9995 > 1152.380328696 > 36 > 105.74441926465866 > 0 > 23 > 0 > 0 > (2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5R)-6-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4,5-tris({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol > -2.22 > -13.557553092 > -0.21 > 1 > 7 > 0 > 12.003310800763828 > 11.61476460241674 > -3.6786228429227883 > 585.2800000000003 > 230.40320000000028 > 19 > 0 > 7.06e+02 g/l > (2S,3R,4S,5S,6R)-2-{[(2R,3R,4S,5R)-6-{[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4,5-tris({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})oxan-2-yl]methoxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 0 > ECMDB20349 > Maltoheptaose $$$$