Mrv0541 07101213522D 67 72 0 0 1 0 999 V2000 13.9914 -9.2702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0012 -8.4700 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2308 -9.6258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7273 -9.6950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7175 -8.0502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2308 -8.0502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4750 -10.0457 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4190 -9.2603 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7471 -10.4853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4288 -8.4403 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2159 -7.2203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7983 -9.6753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4750 -10.8164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1400 -9.7049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1943 -8.0007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1363 -10.0457 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7983 -11.2015 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2059 -11.2164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9600 -7.5266 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1462 -10.8360 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3955 -9.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8030 -12.0017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9551 -6.6917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6663 -7.9020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4645 -11.2905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3707 -8.8652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6713 -6.2571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2191 -6.2670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3826 -7.4822 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6812 -8.7960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6644 -11.8783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3826 -6.6572 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2191 -5.4174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1137 -7.9267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9235 -11.4979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6792 -12.6933 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1433 -6.2769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2270 -11.9177 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9580 -13.1329 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4447 -13.1231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9039 -5.8421 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2172 -12.7179 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4515 -11.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9778 -14.0023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8793 -5.0371 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.6301 -6.1929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4614 -13.1527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4686 -10.6484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5411 -4.5727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1038 -4.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2600 -5.7483 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.6303 -7.0425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6957 -13.5330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2821 -4.9778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0889 -3.7132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0379 -6.1633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9696 -13.1477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7204 -14.3480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0379 -4.5184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2633 -13.5627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9746 -14.7778 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4860 -14.7778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2633 -14.3679 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4730 -13.1477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0041 -15.6619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4730 -14.8123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4951 -12.3031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 6 0 0 0 1 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 1 0 0 0 7 3 1 6 0 0 0 4 8 1 0 0 0 0 4 9 1 1 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 6 0 0 0 10 15 1 6 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 6 0 0 0 19 15 1 6 0 0 0 16 20 1 0 0 0 0 16 21 1 1 0 0 0 17 22 1 1 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 20 25 1 6 0 0 0 21 26 1 0 0 0 0 23 27 1 0 0 0 0 23 28 1 1 0 0 0 24 29 1 0 0 0 0 24 30 1 1 0 0 0 31 25 1 6 0 0 0 27 32 1 0 0 0 0 28 33 1 0 0 0 0 29 34 1 6 0 0 0 31 35 1 0 0 0 0 31 36 1 0 0 0 0 32 37 1 6 0 0 0 35 38 1 0 0 0 0 36 39 1 0 0 0 0 36 40 1 6 0 0 0 41 37 1 6 0 0 0 38 42 1 0 0 0 0 38 43 1 1 0 0 0 39 44 1 1 0 0 0 41 45 1 0 0 0 0 41 46 1 0 0 0 0 42 47 1 6 0 0 0 43 48 1 0 0 0 0 45 49 1 0 0 0 0 45 50 1 1 0 0 0 46 51 1 0 0 0 0 46 52 1 1 0 0 0 53 47 1 6 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 6 0 0 0 53 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 57 60 1 0 0 0 0 58 61 1 0 0 0 0 58 62 1 6 0 0 0 60 63 1 0 0 0 0 60 64 1 1 0 0 0 61 65 1 1 0 0 0 63 66 1 6 0 0 0 64 67 1 0 0 0 0 8 10 1 0 0 0 0 17 20 1 0 0 0 0 29 32 1 0 0 0 0 39 42 1 0 0 0 0 51 54 1 0 0 0 0 61 63 1 0 0 0 0 M END > M2MDB001651 > M2MDB > OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)C(O)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O > InChI=1S/C36H62O31/c37-1-7-13(43)14(44)21(51)32(58-7)64-27-9(3-39)60-34(23(53)16(27)46)66-29-11(5-41)62-36(25(55)18(29)48)67-30-12(6-42)61-35(24(54)19(30)49)65-28-10(4-40)59-33(22(52)17(28)47)63-26-8(2-38)57-31(56)20(50)15(26)45/h7-56H,1-6H2/t7-,8-,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-/m1/s1 > OCIBBXPLUVYKCH-LIGGPISVSA-N > C36H62O31 > 990.8589 > 990.327505266 > 31 > 92.31308143978687 > 0 > 20 > 0 > 0 > (2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > -2.52 > -11.786717446333334 > -0.60 > 1 > 6 > 0 > 11.734849808981837 > 11.150734914654292 > -3.6854877292317454 > 506.13000000000017 > 197.9899000000001 > 16 > 0 > 2.52e+02 g/l > maltohexaose > 0 > ECMDB21243 > Maltohexaose $$$$