Mrv1652309132111342D 67 68 0 0 1 0 999 V2000 0.9913 -0.5300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 -0.9757 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4204 -0.3407 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0755 -0.8422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8025 0.4294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6080 0.2510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7815 1.2825 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0747 2.0762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6809 2.8156 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.7362 3.6388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4876 2.9885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1129 3.1012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9492 2.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7675 2.7650 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1800 3.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0050 3.4795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4175 4.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0050 4.9085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2425 4.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 4.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4800 4.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8925 4.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4800 3.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8925 2.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7175 2.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1300 3.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9550 3.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3675 4.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9550 4.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3675 5.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9550 6.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1300 6.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7175 7.0519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8925 7.0519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4800 6.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 6.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2425 7.0519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 7.7663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4800 7.7663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3804 2.1733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8771 1.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5962 1.8898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2063 0.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4981 -0.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3202 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8362 -1.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1510 -2.1039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3037 -2.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5467 -1.7970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2985 -1.8831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3263 -1.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -0.3265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2811 0.2592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9406 0.2330 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7108 -0.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8399 -0.8774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6101 -1.1730 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7392 -1.9879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2512 -0.6538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0215 -0.9494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6626 -0.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4328 -0.7258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0739 -0.2066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0602 1.3507 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1740 2.1678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8410 1.0589 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4894 1.5690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 1 6 0 0 0 3 5 1 0 0 0 0 5 6 1 1 0 0 0 5 7 1 0 0 0 0 7 8 1 6 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 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 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 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 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 14 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 41 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 2 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 2 49 1 0 0 0 0 49 50 1 1 0 0 0 50 51 2 0 0 0 0 51 52 1 4 0 0 0 52 53 2 0 0 0 0 52 54 1 0 0 0 0 54 55 1 1 0 0 0 55 56 2 0 0 0 0 56 57 1 0 0 0 0 57 58 1 6 0 0 0 57 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 7 64 1 0 0 0 0 64 65 1 6 0 0 0 64 66 1 0 0 0 0 54 66 1 0 0 0 0 66 67 1 6 0 0 0 M END > HMDB0278241 > hmdb > CCCCC[C@H](O)\C=C\[C@@H]1[C@@H](O)[C@@H](O)[C@H]2OP(O)(=O)OC[C@@H](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C[C@@H](C=CC1=O)[C@@H](O)[C@H](O)[C@H]2O > InChI=1S/C51H79O15P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-31-44(54)63-37-41-38-64-67(61,62)66-51-49(59)47(57)42(35-34-40(52)30-25-6-4-2)43(53)36-33-39(46(56)48(58)50(51)60)29-26-23-24-28-32-45(55)65-41/h5,7,9-10,12-13,15-16,18-19,23,26,33-36,39-42,46-52,56-60H,3-4,6,8,11,14,17,20-22,24-25,27-32,37-38H2,1-2H3,(H,61,62)/b7-5-,10-9-,13-12-,16-15-,19-18-,26-23-,35-34+,36-33?/t39-,40-,41+,42-,46+,47+,48-,49+,50+,51+/m0/s1 > GVEGXKCFOREDPM-RLMVNOFJSA-N > C51H79O15P > 963.152 > 962.515658842 > 11 > 146 > 105.49351072149375 > 0 > 7 > 0 > 0 > [(1R,6R,12Z,15S,19R,20R,21R,22R,23S,24R)-3,20,21,22,23,24-hexahydroxy-19-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-3,8,18-trioxo-2,4,7-trioxa-3lambda5-phosphabicyclo[13.6.3]tetracosa-12,16-dien-6-yl]methyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate > 5.36 > 7.893274052666667 > -5.29 > 0 > 2 > -1 > 10.458150479780842 > 1.8334273360260753 > -1.5975833372759078 > 246.80999999999995 > 265.84010000000006 > 24 > 0 > 4.95e-03 g/l > [(1R,6R,12Z,15S,19R,20R,21R,22R,23S,24R)-3,20,21,22,23,24-hexahydroxy-19-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-3,8,18-trioxo-2,4,7-trioxa-3lambda5-phosphabicyclo[13.6.3]tetracosa-12,16-dien-6-yl]methyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate > 0 > HMDB0278241 > PI(22:5(7Z,10Z,13Z,16Z,19Z)/PGJ2) $$$$