Accord 08271317192D 171180 0 0 0 0 0 0 0 0999 V2000 24.3416 7.4538 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6879 7.8301 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0341 7.4538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7195 6.8001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9637 6.8001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9955 7.8312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2789 6.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2789 5.6577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6253 6.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0438 8.4465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3236 8.4609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9668 6.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3079 6.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6490 6.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9902 6.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3314 6.4137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3750 7.8300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7161 7.4538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0572 7.8300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3983 7.4538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7393 7.8300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0807 7.4538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4217 7.8300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7628 7.4538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3314 5.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7628 6.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0408 6.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3189 6.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5970 6.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8750 6.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1531 6.3900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6157 5.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9001 5.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1845 5.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4689 5.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7532 5.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0376 5.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3220 5.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6063 5.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8907 5.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1751 5.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4595 5.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7438 5.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0282 5.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3126 5.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5970 5.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8813 5.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1657 5.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4501 5.6271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.8474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4022 9.6175 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5620 9.8577 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7167 9.6362 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2798 10.3930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1199 10.1529 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7292 10.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6650 9.4788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0802 9.8068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8101 10.1218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9653 10.3743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1850 10.6845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2123 9.8919 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3721 10.1321 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5268 9.9107 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0898 10.6674 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9300 10.4274 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5393 10.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4751 9.7532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8903 10.0813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0800 11.1596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7754 10.6487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9950 10.9590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0165 9.2995 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1764 9.5398 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3311 9.3183 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8941 10.0750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7343 9.8350 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3436 10.0606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2794 9.1608 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6946 9.4889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4244 9.8039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5797 10.0564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7993 10.3666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1611 8.9764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4530 8.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7805 8.9764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8266 9.5740 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9865 9.8142 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1412 9.5927 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7042 10.3495 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5444 10.1094 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1537 10.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0895 9.4353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5046 9.7633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6944 10.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3898 10.3308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6094 10.6410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6309 8.9816 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7907 9.2218 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9454 9.0003 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5085 9.7571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3486 9.5170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9579 9.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8938 8.8429 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3089 9.1709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0388 9.4859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1940 9.7384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4137 10.0486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7755 8.6585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0674 8.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3949 8.6585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4410 9.2560 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6008 9.4962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7555 9.2748 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3186 10.0315 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1587 9.7915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7680 10.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7038 9.1173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1190 9.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3087 10.5238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0041 10.0129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2237 10.3231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2440 9.1173 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8645 8.4602 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1305 8.6525 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2170 8.4439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7803 9.1011 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2927 8.9705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4172 8.6084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7466 8.2686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2170 7.9426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5144 8.9089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0116 11.1928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4107 11.8273 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5704 12.0669 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5795 12.9408 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1804 12.3064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9590 12.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3065 11.4487 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1093 12.5378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0371 12.9465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0208 12.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5070 12.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1108 11.3502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2556 11.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7832 11.5439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4393 12.7165 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8385 13.3509 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9981 13.5906 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0072 14.4644 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6082 13.8301 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3867 14.2232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7343 12.9724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5371 14.0615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2493 14.8931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4485 13.5903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9348 14.2546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8013 14.1535 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9612 14.3937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1159 14.1722 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6789 14.9290 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5191 14.6889 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1284 14.9145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0642 14.0148 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4793 14.3428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6691 15.3016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3645 14.9103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5841 15.2205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9459 13.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2378 13.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5653 13.8304 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 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 50 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 59 62 1 0 0 0 0 73 74 1 1 0 0 0 75 74 1 1 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 73 82 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 2 0 0 0 0 69 73 1 0 0 0 0 87 88 1 1 0 0 0 89 88 1 1 0 0 0 90 89 1 1 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 87 96 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 92 97 1 0 0 0 0 81 87 1 0 0 0 0 98 99 1 1 0 0 0 100 99 1 1 0 0 0 101100 1 1 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 98107 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 109110 1 0 0 0 0 109111 2 0 0 0 0 94 98 1 0 0 0 0 112113 1 1 0 0 0 114113 1 1 0 0 0 115114 1 1 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 116121 1 0 0 0 0 112121 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 117122 1 0 0 0 0 106112 1 0 0 0 0 123124 1 1 0 0 0 124125 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 124129 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 123132 1 0 0 0 0 118123 1 0 0 0 0 133134 1 1 0 0 0 135134 1 1 0 0 0 136135 1 1 0 0 0 136137 1 0 0 0 0 137138 1 0 0 0 0 137142 1 0 0 0 0 133142 1 0 0 0 0 134139 1 0 0 0 0 135140 1 0 0 0 0 136141 1 0 0 0 0 138143 1 0 0 0 0 139144 1 0 0 0 0 144145 1 0 0 0 0 144146 2 0 0 0 0 97133 1 0 0 0 0 147148 1 1 0 0 0 149148 1 1 0 0 0 150149 1 1 0 0 0 150151 1 0 0 0 0 151152 1 0 0 0 0 151156 1 0 0 0 0 147156 1 0 0 0 0 148153 1 0 0 0 0 149154 1 0 0 0 0 150155 1 0 0 0 0 152157 1 0 0 0 0 141147 1 0 0 0 0 158159 1 1 0 0 0 160159 1 1 0 0 0 161160 1 1 0 0 0 161162 1 0 0 0 0 162163 1 0 0 0 0 162167 1 0 0 0 0 158167 1 0 0 0 0 159164 1 0 0 0 0 160165 1 0 0 0 0 161166 1 0 0 0 0 163168 1 0 0 0 0 164169 1 0 0 0 0 169170 1 0 0 0 0 169171 2 0 0 0 0 154158 1 0 0 0 0 M END > LMSP0505EG06 > > Fucalpha1-2Galbeta1-4GlcNAcbeta1-3(GalNAcalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C112H199N5O52 > 2446.31 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261785 > - > - > Active (generated by computational methods) > - $$$$