70524895 -OEChem-03192406462D 63 65 0 1 0 0 0 0 0999 V2000 8.0622 5.1720 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.4841 10.1350 0.0000 Na 0 4 0 0 0 0 0 0 0 0 0 0 7.1493 5.5804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 5.1892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1848 6.4770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3950 7.6392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9750 4.7637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4705 6.0849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6539 4.2592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.6369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3931 4.6892 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3931 3.6892 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5271 3.1892 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6610 3.6892 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3393 4.9940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5271 5.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6610 4.6892 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3393 3.3845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7510 3.1824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9229 4.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5431 2.1477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0511 5.6289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6451 1.6200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7430 2.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0319 5.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7587 4.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8242 3.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6489 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8076 1.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7024 6.6876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8763 3.2185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8679 2.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4830 2.8440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2664 2.7699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3972 4.1142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9256 5.6642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1285 5.6642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6610 5.3092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0883 2.8176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8767 3.0753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3838 3.7745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3838 4.6040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7612 1.5673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1523 2.2632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6337 5.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8390 6.2116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4684 5.4169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1087 1.3090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3787 4.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7635 4.8024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1388 4.1872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8361 4.3664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 5.8092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0289 0.6176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6513 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2689 0.6224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8100 0.9711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0832 6.1983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2503 6.9777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3430 3.5347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8106 8.0992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4772 5.1273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0872 6.1486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 15 3 1 6 0 0 0 17 4 1 1 0 0 0 4 53 1 0 0 0 0 5 25 2 0 0 0 0 6 30 1 0 0 0 0 6 61 1 0 0 0 0 7 62 1 0 0 0 0 8 63 1 0 0 0 0 10 32 2 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 22 1 1 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 12 33 1 6 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 13 34 1 1 0 0 0 14 17 1 0 0 0 0 14 19 1 0 0 0 0 14 35 1 6 0 0 0 15 20 1 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 18 20 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 24 1 0 0 0 0 19 26 1 1 0 0 0 19 27 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 23 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 6 0 0 0 23 48 1 0 0 0 0 24 29 2 0 0 0 0 25 30 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 31 2 0 0 0 0 27 52 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 32 1 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 31 32 1 0 0 0 0 31 60 1 0 0 0 0 M RAD 1 2 2 M END > 70524895 > 1 > 921 > 8 > 4 > 4 > AAADceB4PCIAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGDAAAAAGgAACCAAD1SggAICAAAAAxCIQqBSAIIAAAAgAAAICAFAAEgAEBIAAQAAQAAFgAAIAYPIzPDPgAAAAAAAAADAAAYAADAAAYAADAAAAA== > InChI=1S/C22H31O8P.Na/c1-12-8-14-15-5-7-22(18(26)11-23,30-31(27,28)29)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20;/h4,6,9,12,14-15,17,19,23,25H,5,7-8,10-11H2,1-3H3,(H2,27,28,29);/t12-,14-,15-,17-,19+,20-,21-,22-;/m0./s1 > HPQUTGGQKPMFCC-ZFOBEOMCSA-N > 477.16542422 > C22H31NaO8P > 477.4 > CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)OP(=O)(O)O.[Na] > C[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)OP(=O)(O)O.[Na] > 141 > 477.16542422 > 0 > 32 > 8 > 0 > 0 > 0 > 0 > 2 > -1 > 1 5 255 > 11 22 5 12 33 6 13 34 5 14 35 6 19 26 5 23 28 6 15 3 6 17 4 5 $$$$