Accord 08271317192D Structure generated using tools available at www.lipidmaps.org 185195 0 0 0 0 0 0 0 0999 V2000 24.4092 7.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8228 7.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2362 7.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7483 6.6155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0702 6.6155 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4558 6.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4558 5.5905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8694 6.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1420 8.0927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4958 8.1056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2785 6.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6873 6.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0962 6.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5050 6.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9139 6.2688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6447 7.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0536 7.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4624 7.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8712 7.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2800 7.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6890 7.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0977 7.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5066 7.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9139 5.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5066 6.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8588 6.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2111 6.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5633 6.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9155 6.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2678 6.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2718 5.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6298 5.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9877 5.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3456 5.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7035 5.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0614 5.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4193 5.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7773 5.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1352 5.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4931 5.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8510 5.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2089 5.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5669 5.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9248 5.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2827 5.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6406 5.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9985 5.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3564 5.5630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.3496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4636 9.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7098 9.3588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9514 9.1601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5593 9.8391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3131 9.6237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9626 9.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8022 9.0189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3803 9.3132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1379 9.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0717 9.8223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3715 10.1007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6015 9.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8477 9.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0893 9.4064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6972 10.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4510 9.8700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1005 10.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9401 9.2651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5182 9.5594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6884 10.5270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2096 10.0686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5094 10.3469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7342 8.8580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9804 9.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2220 8.8749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8299 9.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5837 9.3385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2332 9.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0728 8.7336 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6509 9.0279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4085 9.3106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3423 9.5371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6421 9.8154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9667 8.5681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2286 8.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6253 8.5681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8669 8.3265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1131 8.5421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3547 8.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9626 9.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7164 8.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3659 9.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2055 8.2021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7836 8.4964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9538 9.4640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4750 9.0056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7748 9.2839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9996 7.7950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2458 8.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4874 7.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0953 8.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8491 8.2754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4986 8.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3382 7.6706 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9163 7.9649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6739 8.2476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6077 8.4741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9075 8.7524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2321 7.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4940 7.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8907 7.5051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1323 7.2635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3785 7.4791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6201 7.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2280 7.9593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9819 7.7439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6313 7.9464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4709 7.1391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0490 7.4334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2192 8.4010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7404 7.9426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0402 8.2209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3888 7.5159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7713 7.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4863 6.3024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7066 6.3843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3239 6.8676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9541 6.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1007 6.9077 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0268 5.9303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4309 6.5737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6091 7.5980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9723 7.1951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1722 6.7246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4779 6.8262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9715 6.4484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2384 9.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6993 10.3482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9453 10.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9535 11.3473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4927 10.7782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2940 11.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6058 10.0086 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5317 10.9858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4669 11.3524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2467 10.5630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7857 11.1590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4302 9.9202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5601 9.6254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1363 10.0940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7477 10.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9939 10.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2355 10.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8434 10.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5972 10.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2467 10.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0863 10.1599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6644 10.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8346 11.4218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3558 10.9634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6556 11.2418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0042 10.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2457 10.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6940 9.7815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0109 10.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7694 10.3647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3646 10.3605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4983 10.0930 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1245 9.6225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8331 10.4497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3212 10.9218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5768 10.8049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4912 9.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8121 9.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1973 9.7227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6737 10.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6808 9.4792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0261 9.2924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4159 8.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5507 9.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2339 9.1553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0400 9.8460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9050 8.8206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6449 8.3269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2054 9.6657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 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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 80 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 105112 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 119123 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 143148 1 0 0 0 0 148149 1 0 0 0 0 148150 2 0 0 0 0 97137 1 0 0 0 0 151152 1 1 0 0 0 153152 1 1 0 0 0 154153 1 1 0 0 0 154155 1 0 0 0 0 155156 1 0 0 0 0 155160 1 0 0 0 0 151160 1 0 0 0 0 152157 1 0 0 0 0 153158 1 0 0 0 0 154159 1 0 0 0 0 156161 1 0 0 0 0 144151 1 0 0 0 0 162163 1 1 0 0 0 164163 1 1 0 0 0 165164 1 1 0 0 0 165166 1 0 0 0 0 166167 1 0 0 0 0 166171 1 0 0 0 0 162171 1 0 0 0 0 163168 1 0 0 0 0 164169 1 0 0 0 0 165170 1 0 0 0 0 167172 1 0 0 0 0 168173 1 0 0 0 0 173174 1 0 0 0 0 173175 2 0 0 0 0 158162 1 0 0 0 0 176177 1 1 0 0 0 177178 1 1 0 0 0 179178 1 1 0 0 0 179180 1 0 0 0 0 180181 1 0 0 0 0 180185 1 0 0 0 0 177182 1 0 0 0 0 178183 1 0 0 0 0 179184 1 0 0 0 0 176185 1 0 0 0 0 157176 1 0 0 0 0 M END > LMISSP0504BL06 > > GalNAcalpha1-3Galbeta1-3GlcNAcbeta1-3(GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GlcNAcbeta1-6)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C120H212N6O57 > 2649.39 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260905 > - > - > Active (generated by computational methods) > - $$$$