Ketcher 08161815132D 1 1.00000 0.00000 0 72 75 0 1 0 999 V2000 3.3484 -27.2011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2764 -23.0444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2764 -22.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4653 -21.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1549 -21.6251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4653 -20.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5866 -22.0983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1549 -20.6112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9998 -22.1320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2764 -20.1382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5866 -20.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7079 -22.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9998 -20.1382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7079 -23.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8294 -22.1320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8446 -19.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8294 -24.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5866 -24.1596 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9507 -22.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8446 -18.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7234 -20.1382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9507 -23.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8294 -25.1397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5866 -25.1735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0720 -22.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7234 -18.1781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9998 -18.1781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5682 -19.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6894 -21.1182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0720 -24.1596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4653 -25.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7079 -25.6804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5682 -18.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4468 -20.1382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4468 -18.1781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1212 -18.6513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7079 -20.6789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2272 -22.7066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9507 -25.6466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0720 -25.1397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1935 -25.6466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1935 -26.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0720 -27.1674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9507 -26.6605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3148 -25.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0720 -28.1813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8294 -27.1674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3148 -24.1259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3249 -18.6848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1356 -18.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9799 -18.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1356 -17.1986 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.8580 -18.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0137 -19.6643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1238 -16.2245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7363 -18.6510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2756 -15.7348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0017 -15.7174 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 20.6144 -18.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4925 -18.6172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3708 -18.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2489 -18.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0594 -18.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9376 -18.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8157 -18.0767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6939 -18.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5721 -18.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4502 -18.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3283 -18.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2066 -18.5159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.0171 -18.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8580 -17.1305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 1 0 0 3 4 1 0 0 0 3 5 1 0 0 0 4 6 1 0 0 0 4 7 1 1 0 0 5 8 1 0 0 0 5 9 1 6 0 0 6 10 1 0 0 0 6 11 1 1 0 0 12 7 1 1 0 0 8 13 1 1 0 0 12 14 1 0 0 0 12 15 1 0 0 0 16 13 1 6 0 0 14 17 1 0 0 0 14 18 1 6 0 0 15 19 1 0 0 0 16 20 1 0 0 0 16 21 1 0 0 0 17 22 1 0 0 0 17 23 1 1 0 0 18 24 1 0 0 0 19 25 1 1 0 0 20 26 1 0 0 0 20 27 1 1 0 0 21 28 1 0 0 0 21 29 1 1 0 0 22 30 1 1 0 0 24 31 1 0 0 0 24 32 2 0 0 0 26 33 1 0 0 0 28 34 1 6 0 0 33 35 1 1 0 0 8 10 1 0 0 0 19 22 1 0 0 0 28 33 1 0 0 0 27 36 1 0 0 0 11 37 1 0 0 0 25 38 1 0 0 0 39 23 1 1 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 39 44 1 0 0 0 41 45 1 1 0 0 42 1 1 1 0 0 43 46 1 1 0 0 44 47 1 6 0 0 45 48 1 0 0 0 35 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 50 52 1 6 0 0 51 53 1 0 0 0 51 54 1 1 0 0 52 55 1 0 0 0 53 56 1 0 0 0 55 57 2 0 0 0 55 58 1 0 0 0 56 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 0 0 0 63 64 1 0 0 0 64 65 1 0 0 0 65 66 1 0 0 0 66 67 1 0 0 0 67 68 1 0 0 0 68 69 1 0 0 0 69 70 1 0 0 0 70 71 1 0 0 0 53 72 1 6 0 0 M END > CHEBI:141621 > beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(t18:0) > 2 > ganglioside GA1 (t18:0); GA1(t18:0); beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acyl-(4R)-hydroxysphinganine; beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(t18:0); asialo-GM1 ganglioside (t18:0) > C45H81N2O24R > 1034.125 > 1033.51793 > 0 > O[C@H]1[C@H](O[C@@H](O[C@@H]2[C@H]([C@H](O[C@@H]3[C@H](O)[C@H]([C@H](O[C@@H]4[C@H](O[C@@H](OC[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)NC(=O)*)[C@@H]([C@H]4O)O)CO)O[C@@H]3CO)O)O[C@H](CO)[C@@H]2O)NC(C)=O)[C@@H]([C@H]1O)O)CO $$$$