Mrv0541 02251202542D 165170 0 0 1 0 999 V2000 -14.2106 8.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2942 9.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6252 9.9717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7088 10.7924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0399 11.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1235 12.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4545 12.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5381 13.3995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8691 13.8823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9528 14.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2838 15.1858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3674 16.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6984 16.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7820 17.3101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1131 17.7929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1967 18.6137 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.9493 18.9516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5277 19.0965 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.6113 19.9172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9424 20.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0260 21.2208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.3570 21.7036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4406 22.5243 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.7716 23.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0190 22.6692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1932 22.8623 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.2768 23.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6079 24.1658 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.8553 23.8279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1863 24.3107 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.4337 23.9727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3501 23.1520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2699 25.1314 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.6009 25.6142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8483 25.2762 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.7647 24.4555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0121 24.1175 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9285 23.2968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1759 22.9588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3431 24.6003 0.0000 C 0 0 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22.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2662 24.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6255 25.1731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7297 23.7480 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5525 23.8082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3704 23.0053 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8339 22.3228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4524 22.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8117 22.2025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0401 26.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8339 26.8803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5515 27.2304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3362 26.0487 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4198 26.8695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1793 25.7590 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2630 26.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5940 27.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8414 26.7246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6776 27.8833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0225 25.4694 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.1061 26.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8587 26.6281 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.0609 25.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8546 25.6033 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.0568 24.8035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4463 26.1783 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.2400 25.9535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.4421 25.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8505 24.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2359 24.9287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2441 26.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4504 27.2031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8357 27.5532 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -11.6295 27.3283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6336 28.3530 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.8398 28.5779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2252 28.9280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0231 29.7278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3952 27.3106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7545 28.0532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5724 27.2504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6915 24.9866 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.4441 25.3245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8622 22.3795 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.6148 22.7174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7786 21.5587 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.4476 21.0759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7751 18.7585 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.6915 17.9378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3605 17.4550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9389 17.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8553 16.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1027 16.4411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0190 15.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2664 15.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1828 14.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4302 14.1237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3466 13.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5940 12.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5104 12.1442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7578 11.8063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6741 10.9855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9215 10.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8379 9.8268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0853 9.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0017 8.6681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2491 8.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1655 7.5094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4129 7.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2561 7.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0087 7.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6777 7.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4303 7.4611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0993 7.9439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0157 8.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8657 18.1309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8587 19.5793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4344 20.6458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2384 23.3241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7848 23.4373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8100 23.3659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3925 24.5356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0677 25.9312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6421 25.0513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4205 23.5425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5493 24.8252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3071 26.3035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7989 25.3410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8248 24.0797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8712 24.9499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3815 26.5107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6942 24.3953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 23.4879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0890 24.4907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1107 22.9830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8984 26.6034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9065 26.1486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6141 26.0444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6061 25.0380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1989 26.5163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0378 26.7533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0420 27.7780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3925 24.5516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6560 22.1546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7524 20.7341 0.0000 H 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 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 16 17 1 1 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 21 20 1 1 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 0 0 0 0 23 26 1 0 0 0 0 26 27 1 6 0 0 0 28 27 1 1 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 1 0 0 0 31 32 1 0 0 0 0 30 33 1 0 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 1 0 0 0 38 39 1 0 0 0 0 37 40 1 0 0 0 0 40 41 1 1 0 0 0 40 42 1 0 0 0 0 42 43 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 46 47 1 1 0 0 0 47 48 1 0 0 0 0 46 49 1 0 0 0 0 49 50 1 1 0 0 0 49 51 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 6 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 6 0 0 0 55 57 1 0 0 0 0 57 58 1 1 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 59 61 2 0 0 0 0 57 62 1 0 0 0 0 62 63 1 0 0 0 0 53 63 1 0 0 0 0 62 64 1 0 0 0 0 64 65 1 1 0 0 0 64 66 1 0 0 0 0 66 67 1 1 0 0 0 66 68 1 0 0 0 0 68 69 1 0 0 0 0 53 70 1 1 0 0 0 70 71 1 0 0 0 0 70 72 2 0 0 0 0 51 73 1 0 0 0 0 44 73 1 0 0 0 0 73 74 1 6 0 0 0 42 75 1 0 0 0 0 35 75 1 0 0 0 0 75 76 1 6 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 79 2 0 0 0 0 33 80 1 0 0 0 0 80 81 1 1 0 0 0 82 81 1 6 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 84 85 1 6 0 0 0 84 86 1 0 0 0 0 86 87 1 1 0 0 0 87 88 1 0 0 0 0 88 89 1 0 0 0 0 88 90 2 0 0 0 0 86 91 1 0 0 0 0 91 92 1 0 0 0 0 82 92 1 0 0 0 0 91 93 1 0 0 0 0 93 94 1 6 0 0 0 93 95 1 0 0 0 0 95 96 1 1 0 0 0 95 97 1 0 0 0 0 97 98 1 0 0 0 0 82 99 1 1 0 0 0 99100 1 0 0 0 0 99101 2 0 0 0 0 80102 1 0 0 0 0 28102 1 0 0 0 0 102103 1 6 0 0 0 26104 1 0 0 0 0 104105 1 1 0 0 0 104106 1 0 0 0 0 21106 1 0 0 0 0 106107 1 6 0 0 0 18108 1 6 0 0 0 108109 1 0 0 0 0 109110 2 0 0 0 0 109111 1 0 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 117118 1 0 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 120121 1 0 0 0 0 121122 1 0 0 0 0 122123 1 0 0 0 0 123124 1 0 0 0 0 124125 1 0 0 0 0 126125 1 4 0 0 0 126127 2 0 0 0 0 127128 1 0 0 0 0 128129 1 0 0 0 0 129130 1 0 0 0 0 130131 1 0 0 0 0 131132 1 0 0 0 0 132133 1 0 0 0 0 133134 1 0 0 0 0 134135 1 0 0 0 0 16136 1 6 0 0 0 18137 1 1 0 0 0 21138 1 6 0 0 0 23139 1 6 0 0 0 26140 1 1 0 0 0 28141 1 6 0 0 0 30142 1 6 0 0 0 33143 1 6 0 0 0 35144 1 6 0 0 0 37145 1 6 0 0 0 40146 1 6 0 0 0 42147 1 6 0 0 0 44148 1 6 0 0 0 46149 1 6 0 0 0 49150 1 6 0 0 0 51151 1 6 0 0 0 55152 1 1 0 0 0 57153 1 6 0 0 0 64154 1 6 0 0 0 66155 1 6 0 0 0 73156 1 1 0 0 0 75157 1 1 0 0 0 80158 1 6 0 0 0 84159 1 1 0 0 0 86160 1 6 0 0 0 93161 1 1 0 0 0 95162 1 6 0 0 0 102163 1 1 0 0 0 104164 1 6 0 0 0 106165 1 1 0 0 0 M END > FDB028460 > foodb > [H][C@@](O)(CO)[C@@]([H])(O)C1O[C@@](C[C@]([H])(O)[C@@]1([H])NC(C)=O)(O[C@@]1([H])[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(O[C@@]2([H])[C@@]([H])(O)[C@@]([H])(CO)O[C@@]([H])(O[C@@]3([H])[C@@]([H])(CO)O[C@@]([H])(O[C@]4([H])[C@@]([H])(CO)O[C@@]([H])(OC[C@]([H])(NC(=O)CCCCCCCCCCCCCCCC=CCCCCCCCC)[C@]([H])(O)CCCCCCCCCCCCCCC)[C@]([H])(O)[C@@]4([H])O)[C@]([H])(O)[C@@]3([H])O[C@@]3(C[C@]([H])(O)[C@@]([H])(NC(C)=O)C(O3)[C@]([H])(O)[C@]([H])(O)CO)C(O)=O)[C@]2([H])CC(C)=O)[C@]1([H])O)C(O)=O > InChI=1S/C93H165N3O39/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-68(111)96-58(59(106)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)53-124-87-76(117)75(116)80(66(51-101)127-87)130-89-78(119)85(135-93(91(122)123)46-61(108)70(95-56(5)105)83(133-93)72(113)63(110)48-98)81(67(52-102)128-89)131-86-57(44-54(3)103)79(73(114)64(49-99)125-86)129-88-77(118)84(74(115)65(50-100)126-88)134-92(90(120)121)45-60(107)69(94-55(4)104)82(132-92)71(112)62(109)47-97/h20-21,57-67,69-89,97-102,106-110,112-119H,6-19,22-53H2,1-5H3,(H,94,104)(H,95,105)(H,96,111)(H,120,121)(H,122,123)/t57-,58+,59-,60+,61+,62-,63-,64-,65-,66-,67-,69-,70-,71-,72-,73+,74+,75-,76-,77-,78-,79-,80-,81+,82?,83?,84+,85-,86+,87-,88+,89+,92+,93+/m1/s1 > OAYVLJAJAMDGMT-QWEKPPOCSA-N > C93H165N3O39 > 1949.3019 > 1948.102022553 > 39 > 216.13824911630084 > 0 > 24 > 0 > 0 > (2S,4S,5R)-2-{[(2R,3R,4S,5S,6R)-2-{[(2S,3R,4R,5R,6R)-2-{[(2R,3S,4R,5R,6S)-4-{[(2S,4S,5R)-2-carboxy-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy}-6-{[(2R,3S,4R,5R,6R)-6-{[(2S,3R)-2-(hexacos-17-enamido)-3-hydroxyoctadecyl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-(2-oxopropyl)oxan-4-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid > 2.33 > 3.9960662116666716 > -4.26 > 1 > 6 > -2 > 3.144349716543318 > 2.5411132010091304 > -3.685478686053642 > 674.1000000000003 > 475.06549999999993 > 68 > 0 > 1.08e-01 g/l > (2S,4S,5R)-2-{[(2R,3R,4S,5S,6R)-2-{[(2S,3R,4R,5R,6R)-2-{[(2R,3S,4R,5R,6S)-4-{[(2S,4S,5R)-2-carboxy-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy}-6-{[(2R,3S,4R,5R,6R)-6-{[(2S,3R)-2-(hexacos-17-enamido)-3-hydroxyoctadecyl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-5-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-3-(2-oxopropyl)oxan-4-yl]oxy}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-5-acetamido-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid > 0 > FDB028460 > Ganglioside GD1a (d18:0/26:1(17Z)) $$$$