69176070 -OEChem-03282405482D 67 66 0 1 0 0 0 0 0999 V2000 0.0000 6.5608 0.0000 Ca 0 0 0 0 0 15 0 0 0 0 0 0 6.5995 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.2973 9.7286 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.8452 13.1217 0.0000 Na 0 4 0 0 0 0 0 0 0 0 0 0 13.6904 6.5608 0.0000 Na 0 4 0 0 0 0 0 0 0 0 0 0 5.5618 6.0277 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5755 7.5180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3385 6.7617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6057 6.7445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4001 8.7339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5435 3.2094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1945 10.7233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2920 9.8314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3026 9.6258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9366 6.2617 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9366 5.2617 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0706 4.7617 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2046 5.2617 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8828 6.5664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8828 4.9570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0706 6.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4664 5.7617 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2046 6.2617 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2946 4.7548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0866 3.7202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9366 7.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1886 3.1924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2865 3.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6929 7.1528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4664 5.7617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9598 5.6972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3677 5.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3511 3.1635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5901 8.1475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4198 4.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4115 3.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0266 4.4165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8100 4.3424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6318 4.3901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4202 4.6477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4691 7.2366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6721 7.2366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7482 5.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2046 6.8817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3047 3.1398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6958 3.8357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5566 7.2617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9366 7.8817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3166 7.2617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7913 2.7165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5896 2.7195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4664 5.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0864 5.7617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4664 6.3817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5440 5.9047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7522 6.2814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3756 5.4896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9911 7.9780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3797 5.9388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3385 7.3817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3535 2.5435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3192 8.7052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9938 7.9776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8865 5.1072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6967 11.0869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6555 9.3292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5995 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 67 1 0 0 0 0 3 10 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 3 14 2 0 0 0 0 18 6 1 6 0 0 0 19 7 1 6 0 0 0 7 58 1 0 0 0 0 23 8 1 1 0 0 0 8 60 1 0 0 0 0 9 29 2 0 0 0 0 10 34 1 0 0 0 0 11 36 2 0 0 0 0 12 65 1 0 0 0 0 13 66 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 15 21 1 0 0 0 0 15 26 1 1 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 16 37 1 6 0 0 0 17 18 1 0 0 0 0 17 25 1 0 0 0 0 17 38 1 1 0 0 0 18 23 1 0 0 0 0 18 24 1 0 0 0 0 19 22 1 0 0 0 0 19 29 1 0 0 0 0 20 22 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 23 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 30 1 1 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 24 28 1 0 0 0 0 24 31 1 1 0 0 0 24 32 1 0 0 0 0 25 27 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 27 51 1 0 0 0 0 28 33 2 0 0 0 0 29 34 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 32 35 2 0 0 0 0 32 59 1 0 0 0 0 33 36 1 0 0 0 0 33 61 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 35 36 1 0 0 0 0 35 64 1 0 0 0 0 M RAD 2 4 2 5 2 M END > 69176070 > 1 > 973 > 9 > 5 > 4 > AAADceB4PTIEAAgAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGDAAAAAGwAACCAAD1SggAICAAAAAxCIQqBSAIIAAAAgAAAICAFAAEgAEBIAAQAAQAAFgAAIAYPIzPDPgAAAAAAAAADAAAYAADAAAYAADAAAAA== > InChI=1S/C22H30FO8P.Ca.ClH.2Na/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30;;;;/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30);;1H;;/t12-,15-,16-,17-,19-,20-,21-,22-;;;;/m0..../s1 > JLMRXIXKZXRBQA-VKXDLWFVSA-N > 594.0850402 > C22H31CaClFNa2O8P > 595.0 > CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)(O)O)O)C)O)F)C.[Na].[Na].Cl.[Ca] > C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)COP(=O)(O)O)O)C)O)F)C.[Na].[Na].Cl.[Ca] > 141 > 594.0850402 > 0 > 36 > 8 > 0 > 0 > 0 > 0 > 5 > -1 > 1 5 255 > 15 26 5 16 37 6 17 38 5 22 30 5 24 31 5 18 6 6 19 7 6 23 8 5 $$$$