Accord 08271317192D Structure generated using tools available at www.lipidmaps.org 193204 0 0 0 0 0 0 0 0999 V2000 24.4092 7.2013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8226 7.5389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2359 7.2013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7483 6.6146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0701 6.6146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4556 6.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4556 5.5896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8691 6.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1419 8.0920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4957 8.1049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2782 6.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6870 6.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0957 6.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5045 6.6068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9133 6.2679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6445 7.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0532 7.2013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4620 7.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8708 7.2013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2794 7.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6884 7.2013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0970 7.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5058 7.2013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9133 5.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5058 6.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8580 6.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2102 6.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5623 6.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9145 6.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2667 6.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2712 5.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6290 5.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9869 5.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3447 5.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7026 5.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0604 5.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4182 5.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7761 5.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1339 5.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4918 5.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8496 5.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2075 5.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5653 5.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9232 5.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2810 5.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6388 5.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.3491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4636 9.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7097 9.3583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9511 9.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5590 9.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3129 9.6232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9624 9.8257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8021 9.0183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3800 9.3127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1376 9.5953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0716 9.8219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3713 10.1002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6011 9.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8472 9.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0887 9.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6966 10.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4505 9.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0999 10.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9397 9.2646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5175 9.5589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6878 10.5266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2091 10.0681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5089 10.3465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7335 8.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9796 9.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2211 8.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8290 9.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5829 9.3379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2323 9.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0720 8.7330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6499 9.0274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4075 9.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3415 9.5366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6412 9.8149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9659 8.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2279 8.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6244 8.5675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8659 8.3259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1120 8.5414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3535 8.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9614 9.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7153 8.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3647 9.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2044 8.2014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7823 8.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9525 9.4635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4739 9.0050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7736 9.2834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9983 7.7943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2444 8.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4858 7.8111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0937 8.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8476 8.2748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4971 8.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3368 7.6699 0.0000 N 0 0 0 0 0 0 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0 0 0 5.7044 6.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3218 6.8668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9520 6.7021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0987 6.9069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0246 5.9294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4286 6.5729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6070 7.5972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9701 7.1943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1702 6.7237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4759 6.8254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9694 6.4475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0565 7.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0636 6.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4088 6.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7985 5.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9334 6.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6165 6.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4229 6.8244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2877 5.7988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0275 5.3051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5882 6.6440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2372 9.7786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6980 10.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9440 10.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9521 11.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4914 10.7778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2926 11.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6045 10.0081 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5302 10.9855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4655 11.3521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2454 10.5627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7844 11.1587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4289 9.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5588 9.6249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1349 10.0936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7462 10.2840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9923 10.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2338 10.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8417 10.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5956 10.7644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2450 10.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0847 10.1595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6626 10.4539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8329 11.4215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3542 10.9631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6539 11.2415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0024 10.5364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2438 10.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6920 9.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0088 10.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7674 10.3643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3626 10.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4964 10.0926 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1225 9.6220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8310 10.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3193 10.9214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5748 10.8045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4893 9.8962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8103 9.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1953 9.7223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6721 10.1595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6792 9.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0244 9.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4141 8.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5490 9.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2321 9.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0384 9.8456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9033 8.8200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6431 8.3263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2037 9.6652 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 2 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 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 67 71 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 78 85 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 107108 1 0 0 0 0 107109 2 0 0 0 0 92 96 1 0 0 0 0 110111 1 1 0 0 0 112111 1 1 0 0 0 113112 1 1 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 114119 1 0 0 0 0 110119 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 115120 1 0 0 0 0 103110 1 0 0 0 0 121122 1 1 0 0 0 123122 1 1 0 0 0 124123 1 1 0 0 0 124125 1 0 0 0 0 125126 1 0 0 0 0 125130 1 0 0 0 0 121130 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 126131 1 0 0 0 0 127132 1 0 0 0 0 132133 1 0 0 0 0 132134 2 0 0 0 0 117121 1 0 0 0 0 135136 1 1 0 0 0 136137 1 1 0 0 0 138137 1 1 0 0 0 138139 1 0 0 0 0 139140 1 0 0 0 0 139144 1 0 0 0 0 136141 1 0 0 0 0 137142 1 0 0 0 0 138143 1 0 0 0 0 135144 1 0 0 0 0 116135 1 0 0 0 0 145146 1 1 0 0 0 147146 1 1 0 0 0 148147 1 1 0 0 0 148149 1 0 0 0 0 149150 1 0 0 0 0 149154 1 0 0 0 0 145154 1 0 0 0 0 146151 1 0 0 0 0 147152 1 0 0 0 0 148153 1 0 0 0 0 150155 1 0 0 0 0 151156 1 0 0 0 0 156157 1 0 0 0 0 156158 2 0 0 0 0 95145 1 0 0 0 0 159160 1 1 0 0 0 161160 1 1 0 0 0 162161 1 1 0 0 0 162163 1 0 0 0 0 163164 1 0 0 0 0 163168 1 0 0 0 0 159168 1 0 0 0 0 160165 1 0 0 0 0 161166 1 0 0 0 0 162167 1 0 0 0 0 164169 1 0 0 0 0 152159 1 0 0 0 0 170171 1 1 0 0 0 172171 1 1 0 0 0 173172 1 1 0 0 0 173174 1 0 0 0 0 174175 1 0 0 0 0 174179 1 0 0 0 0 170179 1 0 0 0 0 171176 1 0 0 0 0 172177 1 0 0 0 0 173178 1 0 0 0 0 175180 1 0 0 0 0 176181 1 0 0 0 0 181182 1 0 0 0 0 181183 2 0 0 0 0 166170 1 0 0 0 0 184185 1 1 0 0 0 185186 1 1 0 0 0 187186 1 1 0 0 0 187188 1 0 0 0 0 188189 1 0 0 0 0 188193 1 0 0 0 0 185190 1 0 0 0 0 186191 1 0 0 0 0 187192 1 0 0 0 0 184193 1 0 0 0 0 165184 1 0 0 0 0 M END > LMISSP0504BO07 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GlcNAcbeta1-3(GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C124H216N6O61 > 2765.40 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260930 > - > - > Active (generated by computational methods) > - $$$$