Mrv1652309122107482D 47 47 0 0 1 0 999 V2000 5.4888 -4.5402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4888 -3.7152 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.6638 -3.7152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3138 -3.7152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4888 -2.8902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2033 -2.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2033 -1.6527 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4888 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7744 -1.6527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0599 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0599 -0.4152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3454 -1.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6309 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9165 -1.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4875 -1.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2269 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9414 -1.6527 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0277 -2.4731 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4146 -3.0252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8346 -2.6447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2471 -1.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0676 -1.8440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6951 -1.3171 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8666 -0.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2535 0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4250 0.8489 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2097 1.1038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8120 1.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9835 2.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3704 2.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5419 3.5669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0712 4.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9178 -1.2402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6322 -1.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6322 -2.4777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3467 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0612 -1.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7757 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4901 -1.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2046 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9191 -1.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6335 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3480 -1.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0625 -1.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7769 -1.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4914 -1.2402 0.0000 C 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 2 4 2 0 0 0 0 2 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 2 0 0 0 0 10 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 0 0 0 0 18 17 1 1 0 0 0 18 19 1 0 0 0 0 19 20 1 1 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 18 24 1 0 0 0 0 24 25 1 6 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 1 1 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 7 34 1 1 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 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 M END > HMDB0262841 > hmdb > CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC[C@H]1[C@@H](O)CC(=O)[C@@H]1\C=C\[C@@H](O)CCCCC)COP(O)(O)=O > InChI=1S/C35H63O11P/c1-3-5-7-8-9-10-11-12-18-22-35(40)46-29(27-45-47(41,42)43)26-44-34(39)21-17-14-13-16-20-30-31(33(38)25-32(30)37)24-23-28(36)19-15-6-4-2/h23-24,28-32,36-37H,3-22,25-27H2,1-2H3,(H2,41,42,43)/b24-23+/t28-,29+,30+,31+,32-/m0/s1 > AMHBWPPGXGGLQW-ZOQPFALLSA-N > C35H63O11P > 690.852 > 690.410799847 > 8 > 110 > 79.52893384535756 > 0 > 4 > 0 > 0 > [(2R)-2-(dodecanoyloxy)-3-({7-[(1R,2R,5S)-5-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-3-oxocyclopentyl]heptanoyl}oxy)propoxy]phosphonic acid > 5.15 > 7.4318621066666655 > -6.06 > 0 > 1 > -2 > 6.343234647998323 > 1.317934178120745 > -1.597922952506004 > 176.89 > 181.4027 > 31 > 0 > 6.01e-04 g/l > (2R)-2-(dodecanoyloxy)-3-({7-[(1R,2R,5S)-5-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-3-oxocyclopentyl]heptanoyl}oxy)propoxyphosphonic acid > 0 > HMDB0262841 > PA(PGD1/12:0) $$$$