Ketcher 06252310022D 1 1.00000 0.00000 0 123131 0 1 0 999 V2000 19.8050 2.6004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6313 1.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3974 0.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2238 -0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2841 -0.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5180 0.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6916 1.2736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9256 1.9164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9859 1.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2199 2.2171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2802 1.8751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1065 0.8903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8726 0.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8123 0.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5783 -0.0533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6989 -0.7373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7593 -1.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9932 -0.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0535 -0.7785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8799 -1.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6459 -2.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5856 -2.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3516 -2.7069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4723 -3.3909 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2383 -4.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1780 -3.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0646 -5.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9402 -2.1054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1741 -1.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2344 -1.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4684 -1.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5287 -1.5038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3551 -2.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1211 -3.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0608 -2.7894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9474 -4.1163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7135 -4.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5398 -5.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3059 -6.3866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2456 -6.0446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4193 -5.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6532 -4.4170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8268 -3.4322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3589 -4.7178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0116 -6.6874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6001 -6.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4265 -7.0707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4154 -2.8307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7626 -0.8611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8229 -1.2031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0569 -0.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1172 -0.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9436 -1.8871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7096 -2.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6493 -2.1879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5359 -3.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5963 -3.8568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4226 -4.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5963 -5.8263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8303 -6.4691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8906 -6.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7169 -5.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4829 -4.4995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7772 -4.8003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0111 -5.4431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1848 -6.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4188 -7.0707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0714 -5.1011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6036 -3.8155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1245 -6.7699 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2981 -7.7547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2378 -8.0968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5321 -8.3975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0039 -7.4539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4226 -4.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9226 -3.9755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9226 -5.7076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0039 -2.2291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3512 -0.2595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4115 -0.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6454 0.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7058 -0.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5321 -1.2856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2981 -1.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2378 -1.5863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1245 -2.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8905 -3.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5924 -1.6276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9397 0.3420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0000 -1.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 -3.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -4.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1736 0.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5924 1.6276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1133 1.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8191 1.0261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2306 0.4245 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1703 0.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9363 0.1238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3439 1.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6420 -0.1770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1668 0.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4008 1.1911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5141 2.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6878 3.5028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3935 3.2019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1104 -1.3388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9898 -0.6548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3371 1.3149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 2 1 0 0 0 9 8 1 6 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 9 1 0 0 0 14 15 1 1 0 0 13 16 1 6 0 0 17 16 1 1 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 17 1 0 0 0 22 23 1 6 0 0 21 24 1 1 0 0 24 25 1 0 0 0 25 26 2 0 0 0 25 27 1 0 0 0 20 28 1 6 0 0 28 29 1 0 0 0 30 29 1 1 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 30 1 0 0 0 34 36 1 1 0 0 37 36 1 1 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 37 1 0 0 0 42 43 1 6 0 0 41 44 1 1 0 0 40 45 1 0 0 0 38 46 1 6 0 0 46 47 1 0 0 0 33 48 1 6 0 0 32 49 1 1 0 0 50 49 1 6 0 0 50 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 50 1 0 0 0 54 56 1 6 0 0 56 57 1 0 0 0 58 57 1 0 0 0 58 59 1 0 0 0 59 60 1 0 0 0 60 61 1 0 0 0 61 62 1 0 0 0 62 63 1 6 0 0 63 58 1 0 0 0 62 64 1 0 0 0 64 65 1 0 0 0 65 66 1 0 0 0 66 67 1 0 0 0 65 68 1 1 0 0 64 69 1 1 0 0 61 70 1 1 0 0 70 71 1 0 0 0 71 72 2 0 0 0 71 73 1 0 0 0 60 74 1 6 0 0 58 75 1 1 0 0 75 76 2 0 0 0 75 77 1 0 0 0 53 78 1 1 0 0 52 79 1 6 0 0 80 79 1 6 0 0 80 81 1 0 0 0 81 82 1 0 0 0 82 83 1 0 0 0 83 84 1 0 0 0 84 85 1 0 0 0 85 80 1 0 0 0 84 86 1 6 0 0 86 87 1 0 0 0 83 88 1 6 0 0 82 89 1 6 0 0 90 89 1 0 0 0 90 91 1 0 0 0 91 92 1 0 0 0 92 93 1 0 0 0 93 94 1 0 0 0 94 95 1 6 0 0 95 90 1 0 0 0 94 96 1 0 0 0 96 97 1 0 0 0 97 98 1 0 0 0 98 99 1 0 0 0 97100 1 1 0 0 96101 1 6 0 0 93102 1 1 0 0 102103 1 0 0 0 103104 2 0 0 0 103105 1 0 0 0 92106 1 6 0 0 90107 1 1 0 0 107108 2 0 0 0 107109 1 0 0 0 81110 1 1 0 0 51111 1 1 0 0 111112 1 0 0 0 112113 2 0 0 0 112114 1 0 0 0 31115 1 1 0 0 18116 1 6 0 0 116117 1 0 0 0 11118 1 6 0 0 118119 1 0 0 0 10120 1 6 0 0 5121 1 6 0 0 4122 1 1 0 0 3123 1 1 0 0 6 15 1 6 0 0 M END > CHEBI:195319 > Fucosyldisialyllacto-N-hexaose I > Human Milk Oligosaccharide (HMO) > 2 > FDS-LNH-I > C68H112N4O51 > 1801.621 > 1800.62935 > 0 > C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2[C@@H](O[C@@H]([C@@H]([C@@H]2O)O)CO)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)NC(=O)C)OC[C@@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)O[C@@H]5[C@H](OC([C@@H]([C@H]5O)O)O)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@@]7(C[C@@H]([C@H]([C@@H](O7)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O[C@@]9(C[C@@H]([C@H]([C@@H](O9)[C@@H]([C@@H](CO)O)O)NC(=O)C)O)C(=O)O)O)NC(=O)C)O)CO)O)O)O > InChI=1S/C68H112N4O51/c1-16-35(87)43(95)47(99)61(109-16)120-57-44(96)38(90)25(10-75)112-64(57)117-50-28(13-78)113-59(33(42(50)94)71-19(4)81)107-14-29-41(93)55(48(100)62(115-29)116-51-27(12-77)110-58(102)46(98)45(51)97)119-60-34(72-20(5)82)52(40(92)30(114-60)15-108-67(65(103)104)6-21(83)31(69-17(2)79)53(121-67)36(88)23(85)8-73)118-63-49(101)56(39(91)26(11-76)111-63)123-68(66(105)106)7-22(84)32(70-18(3)80)54(122-68)37(89)24(86)9-74/h16,21-64,73-78,83-102H,6-15H2,1-5H3,(H,69,79)(H,70,80)(H,71,81)(H,72,82)(H,103,104)(H,105,106)/t16-,21-,22-,23+,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38-,39-,40+,41-,42+,43+,44-,45+,46+,47-,48+,49+,50+,51+,52+,53+,54+,55-,56-,57+,58?,59+,60-,61-,62-,63-,64-,67+,68-/m0/s1 > PPVSTAHXKVKSNH-RUMXEMEOSA-N > 26613816 $$$$