Mrv1652303252017142D 63 62 0 0 1 0 999 V2000 22.6026 -3.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9275 -3.5853 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2524 -3.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2777 -3.5853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5772 -3.5853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4007 -4.3649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9528 -3.1956 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 23.5631 -2.5204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3426 -3.8706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6280 -2.8058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3030 -3.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9782 -2.8058 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 26.6533 -3.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5153 -4.3946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.2911 -2.7690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5545 -2.1208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.3661 -2.1208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7165 -3.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4310 -3.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1455 -3.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8600 -3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5744 -3.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2890 -3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0034 -3.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7179 -3.5853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4324 -3.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1469 -3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8614 -3.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5758 -3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2904 -3.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0048 -3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7193 -3.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4338 -3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1482 -3.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8627 -3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8627 -2.3478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6820 -4.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 -4.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1111 -4.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8255 -4.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5400 -4.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2545 -4.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9689 -4.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6834 -4.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3979 -4.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1124 -4.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8269 -4.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5414 -4.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2559 -4.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9703 -4.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6848 -4.7775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3993 -4.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1138 -4.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8283 -4.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5428 -4.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2572 -4.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9717 -4.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6862 -4.7774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6862 -5.6024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.0312 -3.1337 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 28.7713 -3.4983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.3958 -2.3936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.6666 -3.8737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 2 6 1 6 0 0 0 7 4 1 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 10 7 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 2 14 1 1 0 0 0 13 15 1 0 0 0 0 12 16 1 6 0 0 0 12 17 1 1 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 20 2 0 0 0 0 22 21 1 0 0 0 0 23 22 1 0 0 0 0 24 23 2 0 0 0 0 25 24 1 0 0 0 0 26 25 1 0 0 0 0 27 26 2 0 0 0 0 28 27 1 0 0 0 0 29 28 1 0 0 0 0 30 29 1 0 0 0 0 31 30 1 0 0 0 0 32 31 1 0 0 0 0 33 32 1 0 0 0 0 34 33 1 0 0 0 0 35 34 1 0 0 0 0 36 35 2 0 0 0 0 5 35 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 2 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 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 6 1 0 0 0 0 58 59 2 0 0 0 0 61 60 2 0 0 0 0 62 60 1 0 0 0 0 63 60 1 0 0 0 0 15 60 1 0 0 0 0 M END > BMDB0096808 > bmdb > [H][C@](O)(COP(O)(O)=O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC > InChI=1S/C46H78O13P2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(49)59-44(42-58-61(53,54)57-40-43(47)39-56-60(50,51)52)41-55-45(48)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-23,26,28,43-44,47H,3-5,7,9-10,15-16,20,24-25,27,29-42H2,1-2H3,(H,53,54)(H2,50,51,52)/b8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-/t43-,44+/m0/s1 > UGSXRRINJOXWOU-YDYSYWMXSA-N > C46H78O13P2 > 901.0512 > 900.491765606 > 8 > 139 > 99.68230080123195 > 0 > 4 > 0 > 0 > [(2S)-3-({[(2R)-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid > 7.51 > 11.836583211333334 > -6.10 > 0 > 0 > -3 > 2.0402061436989327 > 1.354879296415124 > -3.410499386302644 > 195.35 > 250.8060000000001 > 43 > 0 > 7.16e-04 g/l > (2S)-3-{[(2R)-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxyphosphonic acid > 0 > BMDB0096808 > PGP(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)) $$$$