Mrv1652305221920462D 43 45 0 0 0 0 999 V2000 -0.8125 -5.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5269 -3.5692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3848 -6.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9610 -4.3618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0216 -3.0978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5269 -6.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5269 -4.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6704 -5.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6788 -3.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5519 -2.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2414 -4.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6704 -4.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8663 -3.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8000 -1.0586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6125 -1.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1145 -2.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2697 -1.6906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9559 -4.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5842 -2.6680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8946 -1.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9269 -2.1793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7111 -2.5248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2414 -3.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2414 -5.6317 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0993 -5.6317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7734 -4.5050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3037 -3.8730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5269 -6.8692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8125 -4.8067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9559 -6.0442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3848 -4.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3360 -4.0752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5178 -0.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1428 -0.5698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8323 -1.2608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7071 -2.1203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9933 -1.7495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8986 -2.6680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3643 -2.6091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2091 -2.9545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4572 -1.5473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9559 -3.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7717 -2.5248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 4 1 0 0 0 0 10 5 1 0 0 0 0 11 7 1 0 0 0 0 12 8 1 0 0 0 0 13 9 1 0 0 0 0 15 14 1 0 0 0 0 17 10 1 0 0 0 0 17 14 1 0 0 0 0 18 11 1 0 0 0 0 18 12 1 0 0 0 0 19 13 1 0 0 0 0 19 16 1 0 0 0 0 20 15 1 0 0 0 0 21 16 1 0 0 0 0 23 2 1 0 0 0 0 23 22 1 0 0 0 0 24 6 2 0 0 0 0 24 11 1 4 0 0 0 25 3 1 0 0 0 0 26 4 1 0 0 0 0 27 5 1 0 0 0 0 28 6 1 0 0 0 0 29 7 1 0 0 0 0 30 8 1 0 0 0 0 31 12 1 0 0 0 0 32 13 1 0 0 0 0 33 14 1 0 0 0 0 34 15 1 0 0 0 0 35 16 1 0 0 0 0 36 20 1 0 0 0 0 37 22 2 0 0 0 0 38 22 1 0 0 0 0 39 10 1 0 0 0 0 39 20 1 0 0 0 0 40 9 1 0 0 0 0 40 21 1 0 0 0 0 41 17 1 0 0 0 0 41 21 1 0 0 0 0 42 18 1 0 0 0 0 42 23 1 0 0 0 0 43 19 1 0 0 0 0 43 23 1 0 0 0 0 M END > FDB021795 > foodb > CC(O)=NC1C(O)CC(OC2C(O)C(CO)OC(OC3C(CO)OC(O)C(O)C3O)C2O)(OC1C(O)C(O)CO)C(O)=O > InChI=1S/C23H39NO19/c1-6(28)24-11-7(29)2-23(22(37)38,42-18(11)12(31)8(30)3-25)43-19-13(32)9(4-26)40-21(16(19)35)41-17-10(5-27)39-20(36)15(34)14(17)33/h7-21,25-27,29-36H,2-5H2,1H3,(H,24,28)(H,37,38) > CILYIEBUXJIHCO-UHFFFAOYSA-N > C23H39NO19 > 633.5511 > 633.211628071 > 20 > 82 > 59.08464073991943 > 0 > 13 > 0 > 0 > 2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-4-yl]oxy}-4-hydroxy-5-[(1-hydroxyethylidene)amino]-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid > -2.73 > -6.662276573641777 > -0.57 > 1 > 3 > -1 > 5.532006460035221 > 2.8824050466640974 > 1.9696835629859724 > 338.57000000000005 > 129.12969999999996 > 11 > 0 > 1.70e+02 g/l > 2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-{[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-4-yl]oxy}-4-hydroxy-5-[(1-hydroxyethylidene)amino]-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid > 0 > FDB021795 > 3'-Sialyllactose $$$$