Mrv1572004261618462D 69 68 0 0 1 0 999 V2000 10.7684 -10.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5237 -2.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7684 -9.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8092 -1.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0539 -9.0454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0947 -2.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0539 -8.2204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3802 -1.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3394 -7.8079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6658 -2.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3394 -6.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9513 -1.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6249 -6.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2368 -2.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6249 -5.7454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5224 -1.6204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9105 -5.3329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8079 -2.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9105 -4.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1960 -4.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8079 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4815 -4.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0934 -3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7671 -4.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3789 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0526 -4.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6645 -3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3381 -4.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9500 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3381 -3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2355 -3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6237 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5211 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9092 -3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8066 -3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1947 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2408 -6.7618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0033 -6.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6632 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0513 -4.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8283 -6.0474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0513 -3.2704 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0921 -2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4802 -3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8283 -7.4763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2408 -5.3329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0921 -2.0329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4802 -4.0954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0592 -5.3329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7658 -6.1579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3776 -3.2704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5908 -5.3329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7658 -4.5079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7658 -2.8579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7658 -5.3329 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -9.9513 -0.7954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2368 -2.8579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1960 -5.7454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0934 -1.6204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6249 -4.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5224 -3.2704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4815 -5.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7671 -3.2704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3789 -2.0329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6645 -4.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6237 -4.5079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0526 -2.8579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4158 -6.7618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6632 -3.6829 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 1 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 1 0 0 0 0 14 12 2 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 19 17 2 0 0 0 0 20 19 1 0 0 0 0 21 18 2 0 0 0 0 22 20 1 0 0 0 0 23 21 1 0 0 0 0 24 22 2 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 27 25 2 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 30 28 2 0 0 0 0 31 29 1 0 0 0 0 32 30 1 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 6 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 12 1 0 0 0 0 57 14 1 0 0 0 0 58 17 1 0 0 0 0 59 18 1 0 0 0 0 60 19 1 0 0 0 0 61 21 1 0 0 0 0 62 22 1 0 0 0 0 63 24 1 0 0 0 0 64 25 1 0 0 0 0 65 27 1 0 0 0 0 66 28 1 0 0 0 0 67 30 1 0 0 0 0 41 68 1 6 0 0 0 42 69 1 6 0 0 0 M END > CHEM039882 > chemdb > [H]\C(CCCCC)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC(=O)OC[C@]([H])(COP(O)(=O)OC[C@@]([H])(O)CO)OC(=O)CCC\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCCCCC > InChI=1S/C44H75O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h12,14,17-19,21-22,24-25,27-28,30,41-42,45-46H,3-11,13,15-16,20,23,26,29,31-40H2,1-2H3,(H,49,50)/b14-12+,19-17+,21-18+,24-22+,27-25+,30-28+/t41-,42+/m0/s1 > BPWRRMJSZUWBTG-RXXZDUESSA-N > C44H75O10P > 795.048 > 794.509785613 > 6 > 130 > 91.6954750857637 > 0 > 3 > 0 > 0 > [(2S)-2,3-dihydroxypropoxy][(2R)-2-[(5E,8E,11E)-icosa-5,8,11-trienoyloxy]-3-[(6E,9E,12E)-octadeca-6,9,12-trienoyloxy]propoxy]phosphinic acid > 7.90 > 11.432933569333336 > -6.94 > 0 > 0 > -1 > 13.641245576372423 > 1.8907737771906326 > -2.9689647678483633 > 148.82 > 229.61450000000008 > 40 > 0 > 9.08e-05 g/l > (2S)-2,3-dihydroxypropoxy((2R)-2-[(5E,8E,11E)-icosa-5,8,11-trienoyloxy]-3-[(6E,9E,12E)-octadeca-6,9,12-trienoyloxy]propoxy)phosphinic acid > 0 > PG(18:3(6Z,9Z,12Z)/20:3(5Z,8Z,11Z)) $$$$