Accord 08271317192D 157166 0 0 0 0 0 0 0 0999 V2000 24.3399 7.4596 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6846 7.8368 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0291 7.4596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7188 6.8043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9611 6.8043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9955 7.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2746 6.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2746 5.6590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6193 6.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0414 8.4548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3193 8.4693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9591 6.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2986 6.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6380 6.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9775 6.7955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3170 6.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3683 7.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7078 7.4596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0472 7.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3867 7.4596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7260 7.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0657 7.4596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4050 7.8368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7445 7.4596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3170 5.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7445 6.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0207 6.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2970 6.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5732 6.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8494 6.8110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1257 6.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5996 5.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8822 5.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1647 5.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4473 5.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7299 5.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0124 5.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2950 5.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5775 5.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.8592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4007 9.6287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5584 9.8696 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7110 9.6475 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2729 10.4062 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1152 10.1655 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7235 10.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6617 9.4897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0728 9.8186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8020 10.1344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9627 10.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1804 10.6985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2027 9.9039 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3604 10.1447 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5130 9.9227 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0749 10.6813 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9172 10.4407 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5255 10.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4637 9.7648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8748 10.0937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0650 11.1748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7647 10.6626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9824 10.9736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9989 9.3100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1566 9.5508 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3092 9.3288 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8711 10.0874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7134 9.8468 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3217 10.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2599 9.1709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6710 9.4998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4002 9.8156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5609 10.0687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7786 10.3797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1413 8.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4340 8.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7598 8.9861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8009 9.5851 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9586 9.8260 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1112 9.6039 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6731 10.3626 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5154 10.1219 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1237 10.3481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0619 9.4461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4730 9.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6633 10.8561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3629 10.3439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5806 10.6549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5971 8.9912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7548 9.2321 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9074 9.0100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4693 9.7687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3116 9.5280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9199 9.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8581 8.8522 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2692 9.1811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9984 9.4969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1591 9.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3768 10.0610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7395 8.6673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0322 8.4577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3580 8.6673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3991 9.2664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5568 9.5072 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7094 9.2852 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2713 10.0438 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1136 9.8032 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7219 10.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6601 9.1273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0713 9.4562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2615 10.5373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9611 10.0251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1788 10.3361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1991 9.1273 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8187 8.4685 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0828 8.6613 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1670 8.4522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7317 9.1111 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2429 8.9801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3728 8.6171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6979 8.2765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1670 7.9496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4676 8.9184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9813 11.2081 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3789 11.8441 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5364 12.0844 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5456 12.9604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1480 12.3245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9260 12.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2744 11.4646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0742 12.5565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0018 12.9661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9905 12.0841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4754 12.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0782 11.3658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2234 11.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7498 11.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4025 12.7356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8001 13.3716 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9577 13.6119 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9668 14.4880 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5693 13.8520 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3472 14.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6957 12.9921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4955 14.0840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2095 14.9177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4117 13.6116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8967 14.2775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2347 12.9921 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8542 12.3333 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1184 12.5261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2026 12.3170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7672 12.9759 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2785 12.8449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4084 12.4819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7335 12.1413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2026 11.8144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5032 12.7832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 1 5 1 6 0 0 0 1 4 1 1 0 0 0 6 1 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 5 1 0 0 0 0 2 10 1 1 0 0 0 2 11 1 6 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 3 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 16 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 25 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 2 0 0 0 0 59 63 1 0 0 0 0 77 78 1 1 0 0 0 79 78 1 1 0 0 0 80 79 1 1 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 77 86 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 82 87 1 0 0 0 0 71 77 1 0 0 0 0 88 89 1 1 0 0 0 90 89 1 1 0 0 0 91 90 1 1 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 97 1 0 0 0 0 88 97 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 99100 1 0 0 0 0 99101 2 0 0 0 0 84 88 1 0 0 0 0 102103 1 1 0 0 0 104103 1 1 0 0 0 105104 1 1 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 106111 1 0 0 0 0 102111 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 107112 1 0 0 0 0 96102 1 0 0 0 0 113114 1 1 0 0 0 114115 1 1 0 0 0 116115 1 1 0 0 0 116117 1 0 0 0 0 117118 1 0 0 0 0 117122 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 116121 1 0 0 0 0 113122 1 0 0 0 0 108113 1 0 0 0 0 123124 1 1 0 0 0 125124 1 1 0 0 0 126125 1 1 0 0 0 126127 1 0 0 0 0 127128 1 0 0 0 0 127132 1 0 0 0 0 123132 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 128133 1 0 0 0 0 129134 1 0 0 0 0 134135 1 0 0 0 0 134136 2 0 0 0 0 87123 1 0 0 0 0 137138 1 1 0 0 0 139138 1 1 0 0 0 140139 1 1 0 0 0 140141 1 0 0 0 0 141142 1 0 0 0 0 141146 1 0 0 0 0 137146 1 0 0 0 0 138143 1 0 0 0 0 139144 1 0 0 0 0 140145 1 0 0 0 0 142147 1 0 0 0 0 131137 1 0 0 0 0 148149 1 1 0 0 0 149150 1 1 0 0 0 151150 1 1 0 0 0 151152 1 0 0 0 0 152153 1 0 0 0 0 152157 1 0 0 0 0 149154 1 0 0 0 0 150155 1 0 0 0 0 151156 1 0 0 0 0 148157 1 0 0 0 0 143148 1 0 0 0 0 M END > LMSP0505AR01 > > Fucalpha1-2Galbeta1-4GlcNAcbeta1-3(Fucalpha1-2Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C100H176N4O51 > 2249.13 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261108 > - > - > Active (generated by computational methods) > - $$$$