Mrv1652309132108252D 63 64 0 0 1 0 999 V2000 0.2453 -1.3844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4230 -0.9443 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0181 -0.1934 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9046 -0.3067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2594 0.6317 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1733 0.6426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0893 1.4679 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2388 2.3007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7215 2.9597 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.7369 3.8394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5124 3.3454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 3.1018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9156 2.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6801 2.4809 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2044 3.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0304 3.4240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6696 3.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3205 4.7572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4824 3.7252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0851 4.3174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8733 3.9916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2056 3.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0252 2.9637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6318 3.5468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4340 4.3478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0288 4.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8310 5.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0384 5.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8407 6.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0481 6.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4534 6.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6609 6.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0661 6.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2736 6.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6788 5.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1799 1.7910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5484 1.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3874 1.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7358 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8854 -0.6238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5491 -1.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9665 -2.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2046 -2.3799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3509 -2.3410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3211 -1.7967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1684 -1.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0466 -0.8908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3064 -0.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6968 0.5002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4223 0.1329 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2278 -0.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4210 -0.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7878 -1.5231 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8286 -2.5672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5888 -1.0425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5213 -1.2992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4097 -1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1053 -1.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8579 -1.3961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2486 1.3876 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3156 2.1814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 0.9635 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2423 0.9860 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 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 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 33 34 1 0 0 0 0 34 35 1 0 0 0 0 14 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 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 2 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 2 45 1 0 0 0 0 45 46 1 1 0 0 0 46 47 2 0 0 0 0 47 48 1 4 0 0 0 48 49 2 0 0 0 0 48 50 1 0 0 0 0 50 51 1 1 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 53 54 1 6 0 0 0 53 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 7 60 1 0 0 0 0 60 61 1 6 0 0 0 60 62 1 0 0 0 0 50 62 1 0 0 0 0 62 63 1 6 0 0 0 M END > HMDB0276787 > hmdb > CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@@H]1COP(O)(=O)O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C\C=C/CCCC(=O)O1)C=CC(=O)[C@H](\C=C\[C@@H](O)CCCCC)[C@@H](O)[C@H]2O > InChI=1S/C47H75O15P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-23-27-40(50)59-33-37-34-60-63(57,58)62-47-45(55)43(53)38(31-30-36(48)26-21-6-4-2)39(49)32-29-35(42(52)44(54)46(47)56)25-22-19-20-24-28-41(51)61-37/h9-10,12-13,15-16,19,22,29-32,35-38,42-48,52-56H,3-8,11,14,17-18,20-21,23-28,33-34H2,1-2H3,(H,57,58)/b10-9-,13-12-,16-15-,22-19-,31-30+,32-29?/t35-,36-,37+,38-,42+,43+,44-,45+,46+,47+/m0/s1 > ZMCTYHPXMQBKSY-WOUWCNOISA-N > C47H75O15P > 911.076 > 910.484358713 > 11 > 138 > 99.01763661219013 > 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 (6Z,9Z,12Z)-octadeca-6,9,12-trienoate > 4.69 > 6.838842706000001 > -5.07 > 0 > 2 > -1 > 10.458150479780842 > 1.8334273360260753 > -1.5975833372759078 > 246.80999999999995 > 245.2029000000001 > 22 > 0 > 7.82e-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 (6Z,9Z,12Z)-octadeca-6,9,12-trienoate > 0 > HMDB0276787 > PI(18:3(6Z,9Z,12Z)/PGJ2) $$$$