9831923 -OEChem-05052417272D 88 89 0 1 0 0 0 0 0999 V2000 0.0000 7.6626 0.0000 Na 0 4 0 0 0 0 0 0 0 0 0 0 2.5043 7.6626 0.0000 Na 0 4 0 0 0 0 0 0 0 0 0 0 9.8014 2.2443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4849 1.0774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3303 1.9661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7174 3.9254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1258 5.7258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4278 7.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4737 14.7060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1436 12.2060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0718 13.2060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2058 14.7060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5455 13.7060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4116 12.2060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8673 6.7967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7417 13.7060 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8757 13.2060 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3012 5.8957 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3012 5.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9247 5.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6777 5.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7022 4.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8012 3.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9002 4.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7074 2.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5718 3.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7912 5.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2836 3.3763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5634 2.0743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5019 2.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9093 5.1044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4306 7.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3028 3.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6923 4.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9968 8.5239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7152 1.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3089 0.5109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2296 2.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4226 2.9698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6077 13.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4737 13.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3398 13.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6077 12.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3398 12.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4737 11.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0096 13.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1436 13.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2776 13.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0096 14.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2776 14.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1436 15.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2058 13.7060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4116 13.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6851 5.9652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8598 6.1648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1632 6.5002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4833 4.8449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3113 5.5987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2491 6.8430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1272 3.8410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7879 6.1535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5496 2.8163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0323 2.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5554 8.7929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7278 9.0825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4382 8.2549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0975 1.3015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6617 0.6303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3329 1.1945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9577 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8199 0.1597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6602 1.0218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5008 1.8459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7872 2.6747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9585 2.9611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8302 3.1526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2399 2.3774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0151 2.7871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0708 11.8960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8767 11.8960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4737 11.0860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7417 14.3260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5466 15.0160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7406 15.0160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1436 15.8260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9368 15.0160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6088 13.5160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0086 13.3960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 25 1 0 0 0 0 3 36 1 0 0 0 0 4 29 1 0 0 0 0 4 37 1 0 0 0 0 5 30 1 0 0 0 0 5 38 1 0 0 0 0 6 34 1 0 0 0 0 6 39 1 0 0 0 0 7 31 2 0 0 0 0 8 32 2 0 0 0 0 9 41 1 0 0 0 0 9 86 1 0 0 0 0 10 47 2 0 0 0 0 11 52 1 0 0 0 0 11 87 1 0 0 0 0 12 52 2 0 0 0 0 13 53 1 0 0 0 0 13 88 1 0 0 0 0 14 53 2 0 0 0 0 18 15 1 1 0 0 0 15 32 1 0 0 0 0 15 59 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 82 1 0 0 0 0 17 46 2 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 18 54 1 0 0 0 0 19 20 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 22 1 0 0 0 0 20 57 1 0 0 0 0 20 58 1 0 0 0 0 21 24 1 0 0 0 0 21 27 2 0 0 0 0 22 23 1 0 0 0 0 22 26 2 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 24 28 2 0 0 0 0 25 29 1 0 0 0 0 26 30 1 0 0 0 0 26 60 1 0 0 0 0 27 31 1 0 0 0 0 27 61 1 0 0 0 0 28 33 1 0 0 0 0 28 62 1 0 0 0 0 29 30 2 0 0 0 0 31 34 1 0 0 0 0 32 35 1 0 0 0 0 33 34 2 0 0 0 0 33 63 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 36 69 1 0 0 0 0 37 70 1 0 0 0 0 37 71 1 0 0 0 0 37 72 1 0 0 0 0 38 73 1 0 0 0 0 38 74 1 0 0 0 0 38 75 1 0 0 0 0 39 76 1 0 0 0 0 39 77 1 0 0 0 0 39 78 1 0 0 0 0 40 41 1 0 0 0 0 40 43 2 0 0 0 0 41 42 2 0 0 0 0 42 44 1 0 0 0 0 42 52 1 0 0 0 0 43 45 1 0 0 0 0 43 79 1 0 0 0 0 44 45 2 0 0 0 0 44 80 1 0 0 0 0 45 81 1 0 0 0 0 46 47 1 0 0 0 0 46 49 1 0 0 0 0 47 48 1 0 0 0 0 48 50 2 0 0 0 0 48 53 1 0 0 0 0 49 51 2 0 0 0 0 49 83 1 0 0 0 0 50 51 1 0 0 0 0 50 84 1 0 0 0 0 51 85 1 0 0 0 0 M RAD 2 1 2 2 2 M END > 9831923 > 1 > 1330 > 14 > 5 > 9 > AAADcfB/PDAAAAAAAAAAAAAAAAAAAAAAAAAwYIAABggAAAABQAAAHgAYCAAADCzBmAYyzoLiBgCoA6XyWAKSDAAkIgAYiIF/7NgPJzaetZ+EcWJl/hWK+Ye8+P+OoAABSAAYUABAAAKQADCgAAAAAAAAAA== > InChI=1S/C22H25NO6.C14H10N2O6.2Na/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16;17-11-7(13(19)20)3-1-5-9(11)15-16-10-6-2-4-8(12(10)18)14(21)22;;/h7,9-11,16H,6,8H2,1-5H3,(H,23,24);1-6,15,17H,(H,19,20)(H,21,22);;/b;16-10+;;/t16-;;;/m0.../s1 > PQEJOFBJVZUJTG-CPHONIQKSA-N > 747.20161212 > C36H35N3Na2O12 > 747.7 > CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC.C1=CC(=C(C(=C1)NN=C2C=CC=C(C2=O)C(=O)O)O)C(=O)O.[Na].[Na] > CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC.C1=CC(=C(C(=C1)N/N=C/2\C=CC=C(C2=O)C(=O)O)O)C(=O)O.[Na].[Na] > 219 > 747.20161212 > 0 > 53 > 1 > 0 > 1 > 0 > 0 > 4 > -1 > 1 5 255 > 18 15 5 21 24 8 21 27 8 22 23 8 22 26 8 23 25 8 24 28 8 25 29 8 26 30 8 27 31 8 28 33 8 29 30 8 31 34 8 33 34 8 40 41 8 40 43 8 41 42 8 42 44 8 43 45 8 44 45 8 $$$$