70698980 CDK 1210211634 45 44 0 0 0 0 0 0 0 0999 V2000 17.3688 1.3654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0832 -0.6971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2267 1.3654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7977 -1.1096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7977 0.5404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0818 0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7963 0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5108 0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2253 0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9398 0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6542 0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3688 0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0832 0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5122 0.1279 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.9426 0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6571 0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2281 0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3715 0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5136 0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2267 0.5404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 28.0860 0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5122 -0.6971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7991 0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.8006 0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9412 0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0847 0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5150 0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6557 0.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3701 0.1279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 28 2 0 0 0 0 35 3 1 6 0 0 0 4 38 1 0 0 0 0 5 28 1 0 0 0 0 29 5 1 6 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 27 37 1 0 0 0 0 29 35 1 0 0 0 0 29 38 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 33 36 1 0 0 0 0 34 39 1 0 0 0 0 35 41 1 0 0 0 0 36 40 1 0 0 0 0 39 42 1 0 0 0 0 40 43 1 0 0 0 0 41 44 2 0 0 0 0 42 45 2 0 0 0 0 44 45 1 0 0 0 0 M END > CHEBI:188230 > Cer(d16:2(4E,6E)/24:0(2OH)) > 2 > N-[(2S,3R,4E,6E)-1,3-dihydroxyhexadeca-4,6-dien-2-yl]-2-hydroxytetracosanamide > C40H77NO4 > 636.059 > 635.58526 > 0 > OC(CCCCCCCCCCCCCCCCCCCCCC)C(=O)N[C@H]([C@H](O)/C=C/C=C/CCCCCCCCC)CO > InChI=1S/C40H77NO4/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-35-39(44)40(45)41-37(36-42)38(43)34-32-30-28-26-24-14-12-10-8-6-4-2/h28,30,32,34,37-39,42-44H,3-27,29,31,33,35-36H2,1-2H3,(H,41,45)/b30-28+,34-32+/t37-,38+,39?/m0/s1 > WMQHIWCKBUPFCV-HTRCKHQSSA-N > LMSP02010093 $$$$