Ketcher 09191914192D 1 1.00000 0.00000 0 123130 0 1 0 999 V2000 24.4619 -3.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3267 -3.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5972 -3.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1917 -3.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7323 -3.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0565 -3.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8675 -3.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9213 -3.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0027 -3.0663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.7862 -3.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6511 -3.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5158 -3.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5972 -4.5643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7321 -2.0678 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.5985 -2.1461 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 23.5969 -1.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5967 -0.5697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4894 -10.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4894 -11.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6243 -10.0572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6243 -12.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7596 -10.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7596 -11.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3541 -10.0572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3541 -12.0545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6243 -13.0532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8947 -12.0545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8947 -10.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7596 -13.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7596 -14.5512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8947 -13.0532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8947 -15.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0298 -13.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0298 -14.5512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6243 -15.0505 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8947 -16.0492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1649 -15.0505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1649 -13.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6280 -16.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4947 -16.5514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7649 -16.5576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8136 -8.0597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9487 -8.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9488 -9.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0839 -8.0598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0839 -10.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2190 -8.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2190 -9.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8136 -10.0571 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0839 -11.0558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3541 -8.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8172 -11.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6839 -11.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9543 -11.5642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6785 -5.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6785 -6.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8136 -5.0637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8136 -7.0610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9488 -5.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9488 -6.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5434 -5.0637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5434 -7.0610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0839 -7.0610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0839 -5.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1379 -3.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1379 -4.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2731 -3.0664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2731 -5.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4082 -3.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4082 -4.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0027 -5.0637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2731 -6.0624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5433 -3.0665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5158 -4.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6508 -5.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7860 -4.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9212 -5.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0564 -4.5640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1915 -5.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3266 -4.5639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3001 -15.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3001 -16.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4352 -15.0505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4352 -17.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5703 -15.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5703 -16.5485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1649 -17.0478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4351 -18.0465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7056 -17.0479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7054 -15.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8407 -15.5498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3001 -13.5525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5703 -18.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5703 -19.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7054 -18.0467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7054 -20.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8405 -18.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8405 -19.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4351 -20.0440 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7054 -21.0425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9756 -20.0440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9756 -18.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4387 -21.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3054 -21.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5758 -21.5511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1109 -20.5433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1109 -21.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 -20.0440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2459 -22.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6189 -20.5433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6189 -21.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9756 -22.0413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2459 -23.0400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4838 -22.0413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4838 -20.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3486 -20.5433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1109 -18.5459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0304 -10.5574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4894 -8.5594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2195 -5.5640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6785 -3.5660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4891 -5.1078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5413 -6.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 1 3 1 0 0 0 3 13 1 1 0 0 2 4 1 0 0 0 3 5 1 0 0 0 5 14 1 6 0 0 4 6 1 0 0 0 5 7 1 0 0 0 6 8 1 0 0 0 7 9 1 0 0 0 8 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 14 16 1 0 0 0 16 15 1 0 0 0 16 17 2 0 0 0 18 19 1 0 0 0 18 20 1 0 0 0 19 21 1 0 0 0 20 22 1 0 0 0 21 23 1 0 0 0 22 23 1 0 0 0 18 24 1 1 0 0 19 25 1 6 0 0 21 26 1 1 0 0 23 27 1 1 0 0 22 28 1 1 0 0 29 30 1 0 0 0 29 31 1 0 0 0 30 32 1 0 0 0 31 33 1 0 0 0 32 34 1 0 0 0 33 34 1 0 0 0 29 26 1 1 0 0 30 35 1 6 0 0 32 36 1 1 0 0 34 37 1 6 0 0 33 38 1 1 0 0 35 39 1 0 0 0 39 40 1 0 0 0 39 41 2 0 0 0 43 44 1 0 0 0 43 45 1 0 0 0 44 46 1 0 0 0 45 47 1 0 0 0 46 48 1 0 0 0 47 48 1 0 0 0 43 42 1 1 0 0 44 49 1 6 0 0 46 50 1 1 0 0 48 24 1 6 0 0 47 51 1 1 0 0 49 52 1 0 0 0 52 53 1 0 0 0 52 54 2 0 0 0 55 56 1 0 0 0 55 57 1 0 0 0 56 58 1 0 0 0 57 59 1 0 0 0 58 60 1 0 0 0 59 60 1 0 0 0 55 61 1 1 0 0 56 62 1 6 0 0 58 42 1 1 0 0 60 63 1 1 0 0 59 64 1 1 0 0 65 66 1 0 0 0 65 67 1 0 0 0 66 68 1 0 0 0 67 69 1 0 0 0 68 70 1 0 0 0 69 70 1 0 0 0 65 9 1 1 0 0 66 71 1 6 0 0 68 72 1 1 0 0 70 61 1 6 0 0 69 73 1 1 0 0 12 74 1 0 0 0 74 75 1 0 0 0 75 76 1 0 0 0 76 77 1 0 0 0 77 78 1 0 0 0 78 79 1 0 0 0 79 80 1 0 0 0 81 82 1 0 0 0 81 83 1 0 0 0 82 84 1 0 0 0 83 85 1 0 0 0 84 86 1 0 0 0 85 86 1 0 0 0 82 87 1 6 0 0 84 88 1 1 0 0 86 89 1 1 0 0 85 90 1 1 0 0 91 90 1 0 0 0 81 37 1 1 0 0 38 92 1 0 0 0 93 94 1 0 0 0 93 95 1 0 0 0 94 96 1 0 0 0 95 97 1 0 0 0 96 98 1 0 0 0 97 98 1 0 0 0 93 88 1 1 0 0 94 99 1 6 0 0 96100 1 1 0 0 98101 1 6 0 0 97102 1 1 0 0 99103 1 0 0 0 103104 1 0 0 0 103105 2 0 0 0 106107 1 0 0 0 106108 1 0 0 0 107109 1 0 0 0 108110 1 0 0 0 109111 1 0 0 0 110111 1 0 0 0 107112 1 6 0 0 109113 1 1 0 0 111114 1 1 0 0 110115 1 1 0 0 116115 1 0 0 0 106101 1 1 0 0 102117 1 0 0 0 28118 1 0 0 0 51119 1 0 0 0 64120 1 0 0 0 73121 1 0 0 0 122123 1 0 0 0 80122 1 0 0 0 M RGP 1 15 1 M END > CHEBI:144893 > beta-D-galactosyl-(1->4)-N-acetyl-beta-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(d20:1(4E)) > 2 > beta-D-galactosyl-(1->4)-N-acetyl-beta-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acyl-icosasphingosine; beta-D-galactosyl-(1->4)-N-acetyl-beta-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acyl-eicosasphing-4-enine; beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d20:1(4E)); a neolactoside nLc8Cer(d20:1(4E)) > C75H129N4O43R > 1774.831 > 1773.80305 > 0 > C(=C/CCCCCCCCCCCCCCC)\[C@@H](O)[C@@H](NC(*)=O)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)NC(C)=O)O)O)NC(C)=O)O)O)NC(C)=O)O)O)O $$$$