11103 -OEChem-04242411402D 82 86 0 1 0 0 0 0 0999 V2000 9.6606 -5.5371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7252 -0.1240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0511 5.5371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4934 0.0611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6561 4.5104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5422 1.4396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4702 -0.8775 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9684 -2.2469 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9349 0.4920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4650 -0.8775 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4690 -3.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0071 -0.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7704 -2.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0712 -1.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0071 -1.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0377 -0.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4678 -3.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1665 -2.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7715 -2.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0618 -4.6211 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.8028 0.2623 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4344 2.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9297 -0.3769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7704 1.1601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4355 2.0943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7381 0.8587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8974 -1.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9297 -1.3780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1330 1.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8974 -0.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1988 -2.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8416 2.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1653 0.8587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1339 0.2286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8056 -1.9466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7971 -4.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0556 -4.5104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6762 1.2542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0111 2.9120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0637 -1.8780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2427 3.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2116 -0.1579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 4.6211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4157 0.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2013 -3.0270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8506 -0.8990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9603 -1.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4293 -5.1204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2962 0.6378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1746 1.2990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7626 -3.0207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3255 3.2432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4137 2.4510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7269 1.2971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5892 0.6494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7986 0.7501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4323 -2.4416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3007 -2.3198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1788 -1.4515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3372 -4.1415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3813 -5.0172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2570 -4.9732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1242 -5.1266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6718 -4.4418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9870 -3.8942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2912 1.3328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5976 1.8692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0611 1.1757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5181 2.5551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3680 3.4190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5041 3.2689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7537 -1.3411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5268 -2.1881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3737 -2.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7588 3.4721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6706 4.2643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7562 -0.5786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5469 -0.6794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0282 -6.0364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2185 0.2515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6836 6.0364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 79 1 0 0 0 0 2 21 1 0 0 0 0 2 80 1 0 0 0 0 3 43 1 0 0 0 0 3 81 1 0 0 0 0 4 44 1 0 0 0 0 4 82 1 0 0 0 0 5 43 2 0 0 0 0 6 44 2 0 0 0 0 7 14 1 0 0 0 0 7 16 1 0 0 0 0 7 46 1 0 0 0 0 8 13 1 0 0 0 0 8 18 1 0 0 0 0 8 47 1 0 0 0 0 9 24 2 0 0 0 0 9 29 1 0 0 0 0 10 27 1 0 0 0 0 10 30 2 0 0 0 0 11 13 2 0 0 0 0 11 17 1 0 0 0 0 11 20 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 12 21 1 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 35 1 0 0 0 0 16 26 2 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 31 1 0 0 0 0 19 45 1 0 0 0 0 20 37 1 0 0 0 0 20 48 1 0 0 0 0 21 38 1 0 0 0 0 21 49 1 0 0 0 0 22 25 2 0 0 0 0 22 29 1 0 0 0 0 22 32 1 0 0 0 0 23 28 2 0 0 0 0 23 30 1 0 0 0 0 23 34 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 39 1 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 31 2 0 0 0 0 28 40 1 0 0 0 0 29 33 2 0 0 0 0 30 33 1 0 0 0 0 31 51 1 0 0 0 0 32 41 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 33 54 1 0 0 0 0 34 42 1 0 0 0 0 34 55 1 0 0 0 0 34 56 1 0 0 0 0 35 57 1 0 0 0 0 35 58 1 0 0 0 0 35 59 1 0 0 0 0 36 60 1 0 0 0 0 36 61 1 0 0 0 0 36 62 1 0 0 0 0 37 63 1 0 0 0 0 37 64 1 0 0 0 0 37 65 1 0 0 0 0 38 66 1 0 0 0 0 38 67 1 0 0 0 0 38 68 1 0 0 0 0 39 69 1 0 0 0 0 39 70 1 0 0 0 0 39 71 1 0 0 0 0 40 72 1 0 0 0 0 40 73 1 0 0 0 0 40 74 1 0 0 0 0 41 43 1 0 0 0 0 41 75 1 0 0 0 0 41 76 1 0 0 0 0 42 44 1 0 0 0 0 42 77 1 0 0 0 0 42 78 1 0 0 0 0 M END > 11103 > 1 > 1020 > 8 > 6 > 8 > AAADcfB/uAAAAAAAAAAAAAAAAAAAAWLFiwAAAAAAAAAAAAAB/gAAHgAQCAAADByhngIyyLLJkgCoAyTyTACCgCAhAiAAmSEwbJgINnLA0NGEdAhm0AHI2Ae42fOegAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid > 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid > 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid > 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid > 3-[8,13-bis(1-hydroxyethyl)-18-(3-hydroxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid > 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphin-2-yl]propionic acid > InChI=1S/C34H38N4O6/c1-15-21(7-9-31(41)42)27-14-28-22(8-10-32(43)44)16(2)24(36-28)12-29-34(20(6)40)18(4)26(38-29)13-30-33(19(5)39)17(3)25(37-30)11-23(15)35-27/h11-14,19-20,37-40H,7-10H2,1-6H3,(H,41,42)(H,43,44) > KFKRXESVMDBTNQ-UHFFFAOYSA-N > 2.1 > 598.27913494 > C34H38N4O6 > 598.7 > CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(C)O)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C(C)O > CC1=C(C2=CC3=NC(=CC4=NC(=CC5=C(C(=C(N5)C=C1N2)C(C)O)C)C(=C4CCC(=O)O)C)C(=C3C)CCC(=O)O)C(C)O > 172 > 598.27913494 > 0 > 44 > 0 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 20 1 3 10 27 8 10 30 8 11 13 8 11 17 8 12 15 8 12 16 8 13 19 8 14 15 8 14 19 8 16 26 8 17 18 8 18 31 8 21 2 3 24 26 8 27 31 8 29 33 8 30 33 8 7 14 8 7 16 8 8 13 8 8 18 8 9 24 8 9 29 8 $$$$