Mrv1572004261618352D 71 70 0 0 1 0 999 V2000 4.1171 1.3993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1724 0.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1171 0.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1724 1.3993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8315 0.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4579 1.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8315 -0.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4579 2.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5460 -1.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7434 3.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2605 -0.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7434 3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9749 -1.0757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0289 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6894 -0.6632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3145 3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6894 0.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4039 0.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4039 1.3993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6894 1.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6894 2.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9749 3.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6000 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2605 2.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8855 3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5460 3.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1711 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8315 2.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4566 3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1171 3.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7421 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1171 3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0276 3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4026 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3132 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6881 3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2158 7.7783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0217 7.0638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1698 3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5447 5.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8033 7.0638 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5447 4.2868 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5987 3.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9737 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8033 8.4927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2158 6.3493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5987 3.0493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9737 5.1118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0842 6.3493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2592 7.1743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8842 4.2868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4342 6.3493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2592 5.5243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2592 3.8743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2592 6.3493 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.5460 0.5743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1171 -1.0757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2605 0.1618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9749 -1.9007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0289 5.1118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3145 3.0493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9749 0.5743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1184 0.1618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9749 1.3993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4039 3.0493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2605 1.8118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5460 3.8743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4026 2.6368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8315 4.2868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3908 7.7783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1698 4.6993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 5 2 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 13 11 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 16 14 2 0 0 0 0 17 15 1 0 0 0 0 18 17 2 0 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 16 1 0 0 0 0 24 22 1 0 0 0 0 25 23 1 0 0 0 0 26 24 2 0 0 0 0 27 25 1 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 30 28 1 0 0 0 0 31 29 1 0 0 0 0 32 30 2 0 0 0 0 33 31 1 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 41 37 1 0 0 0 0 41 38 1 0 0 0 0 42 39 1 0 0 0 0 42 40 1 0 0 0 0 43 35 1 0 0 0 0 44 36 1 0 0 0 0 45 37 1 0 0 0 0 41 46 1 6 0 0 0 47 43 2 0 0 0 0 48 44 2 0 0 0 0 51 39 1 0 0 0 0 51 43 1 0 0 0 0 52 38 1 0 0 0 0 53 40 1 0 0 0 0 42 54 1 1 0 0 0 54 44 1 0 0 0 0 55 49 1 0 0 0 0 55 50 2 0 0 0 0 55 52 1 0 0 0 0 55 53 1 0 0 0 0 56 5 1 0 0 0 0 57 7 1 0 0 0 0 58 11 1 0 0 0 0 59 13 1 0 0 0 0 60 14 1 0 0 0 0 61 16 1 0 0 0 0 62 17 1 0 0 0 0 63 18 1 0 0 0 0 64 20 1 0 0 0 0 65 21 1 0 0 0 0 66 24 1 0 0 0 0 67 26 1 0 0 0 0 68 30 1 0 0 0 0 69 32 1 0 0 0 0 41 70 1 6 0 0 0 42 71 1 1 0 0 0 M END > CHEM039813 > chemdb > [H]\C(CC)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C([H])=C(/[H])CCCCCC)COP(O)(=O)OC[C@@]([H])(O)CO > InChI=1S/C44H73O10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20-21,24,26,30,32,41-42,45-46H,3-4,6,8-10,12,15,19,22-23,25,27-29,31,33-40H2,1-2H3,(H,49,50)/b7-5+,13-11+,16-14+,18-17+,21-20+,26-24+,32-30+/t41-,42+/m0/s1 > BRJYLBKRWAAAEC-SBRVDRAVSA-N > C44H73O10P > 793.032 > 792.494135549 > 6 > 128 > 92.64846206283018 > 0 > 3 > 0 > 0 > [(2S)-2,3-dihydroxypropoxy][(2R)-2-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(9E)-hexadec-9-enoyloxy]propoxy]phosphinic acid > 7.62 > 11.071011912666666 > -6.85 > 0 > 0 > -1 > 13.641245576372423 > 1.8907737771412285 > -2.9689647678483633 > 148.82 > 230.73110000000008 > 39 > 0 > 1.13e-04 g/l > (2S)-2,3-dihydroxypropoxy((2R)-2-[(4E,7E,10E,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(9E)-hexadec-9-enoyloxy]propoxy)phosphinic acid > 0 > PG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) $$$$