Mrv1572004261618512D 71 70 0 0 1 0 999 V2000 17.2964 -8.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1273 -3.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4956 -8.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3265 -3.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2668 -7.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7545 -2.8634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4659 -7.6192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9536 -3.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2371 -6.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3816 -2.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4362 -6.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5807 -2.6652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2074 -5.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3519 -3.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4066 -5.6376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5511 -3.6560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8346 -6.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3222 -4.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0337 -6.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4617 -6.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8943 -5.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6608 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6655 -5.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4320 -5.6376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6312 -5.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0087 -7.2229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0591 -6.0339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2078 -7.4210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2583 -5.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3642 -6.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6862 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 -7.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8854 -6.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7371 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3134 -6.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8230 -2.7714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2101 -3.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9108 -6.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2540 -4.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4175 -3.3435 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4828 -5.6376 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5379 -6.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -6.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0212 -1.9706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2193 -4.1443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 -7.4210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9405 -7.2229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3899 -3.2290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3684 -2.6652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1100 -6.0339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8046 -3.6867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8261 -4.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2837 -5.8358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5973 -3.4579 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -3.9833 -2.0707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7248 -3.8542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8642 -7.2229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0087 -2.0707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7795 -5.2413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9239 -4.0523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0634 -7.0247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4786 -4.6468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8049 -5.2413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6951 -4.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0888 -7.0247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0040 -5.0431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2879 -6.8266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0295 -5.0431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6157 -2.5426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6820 -5.4394 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 2 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 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 1 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 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 6 1 0 0 0 0 57 8 1 0 0 0 0 58 11 1 0 0 0 0 59 12 1 0 0 0 0 60 13 1 0 0 0 0 61 14 1 0 0 0 0 62 17 1 0 0 0 0 63 18 1 0 0 0 0 64 19 1 0 0 0 0 65 21 1 0 0 0 0 66 22 1 0 0 0 0 67 24 1 0 0 0 0 68 28 1 0 0 0 0 69 30 1 0 0 0 0 41 70 1 6 0 0 0 42 71 1 1 0 0 0 M END > CHEM039899 > chemdb > [H]\C(CC)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCCCCC(=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])C\C([H])=C(/[H])CCCCC > InChI=1S/C44H73O10P/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/h6,8,11-14,17-19,21-22,24,28,30,41-42,45-46H,3-5,7,9-10,15-16,20,23,25-27,29,31-40H2,1-2H3,(H,49,50)/b8-6+,13-11+,14-12+,19-17+,21-18+,24-22+,30-28+/t41-,42+/m0/s1 > IKWXYRYXPYLGDI-VYBIWYQGSA-N > C44H73O10P > 793.032 > 792.494135549 > 6 > 128 > 90.70833570764947 > 0 > 3 > 0 > 0 > [(2S)-2,3-dihydroxypropoxy][(2R)-2-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyloxy]-3-[(9E,12E,15E)-octadeca-9,12,15-trienoyloxy]propoxy]phosphinic acid > 7.56 > 11.071011912666666 > -6.84 > 0 > 0 > -1 > 13.641245576372423 > 1.8907737771906348 > -2.9689647678483633 > 148.82 > 230.73110000000008 > 39 > 0 > 1.14e-04 g/l > (2S)-2,3-dihydroxypropoxy((2R)-2-[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyloxy]-3-[(9E,12E,15E)-octadeca-9,12,15-trienoyloxy]propoxy)phosphinic acid > 0 > PG(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)) $$$$