Mrv1652303031823092D 60 64 0 0 0 0 999 V2000 7.3898 -3.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0135 -2.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5988 -2.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3306 -2.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0415 -2.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7733 -2.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5757 -2.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1114 -2.9965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7141 -3.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1323 -4.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7141 -5.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1114 -5.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5050 -6.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7733 -6.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0415 -6.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3306 -6.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5988 -6.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0135 -5.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3898 -5.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9716 -4.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2053 -3.6027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8987 -3.6027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8987 -5.3173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2053 -5.3173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5477 -1.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8095 -1.0511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8585 -0.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1698 0.2266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5964 0.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2440 -2.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8810 -2.2032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0578 -2.1472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3411 -1.5184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7403 -1.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5227 -1.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6872 -0.6034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1405 -1.9586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0093 -2.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7947 -2.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5130 -2.8314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2236 -2.4121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5208 -3.6564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6111 -7.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3259 -7.7275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3027 -8.5522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0053 -8.9846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5768 -8.9444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9151 -6.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1778 -6.8679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9864 -7.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6320 -7.4866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2440 -5.9130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6184 -7.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9143 -7.7410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2201 -8.9782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9344 -8.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6490 -8.9782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0026 -6.5021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8276 -6.5021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2400 -7.2166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14 15 2 0 0 0 0 16 15 1 0 0 0 0 13 14 1 0 0 0 0 23 14 1 0 0 0 0 24 16 2 0 0 0 0 17 16 1 0 0 0 0 11 23 1 0 0 0 0 12 13 2 0 0 0 0 11 12 1 0 0 0 0 10 11 2 0 0 0 0 9 10 1 0 0 0 0 22 9 2 0 0 0 0 8 9 1 0 0 0 0 6 22 1 0 0 0 0 7 8 2 0 0 0 0 7 6 1 0 0 0 0 5 6 2 0 0 0 0 4 5 1 0 0 0 0 21 4 1 0 0 0 0 3 4 2 0 0 0 0 1 21 1 0 0 0 0 2 1 2 0 0 0 0 20 1 1 0 0 0 0 3 2 1 0 0 0 0 19 20 2 0 0 0 0 24 19 1 0 0 0 0 18 19 1 0 0 0 0 18 17 2 0 0 0 0 3 25 1 0 0 0 0 25 26 1 0 0 0 0 28 27 2 0 0 0 0 29 27 1 0 0 0 0 26 27 1 0 0 0 0 2 30 1 0 0 0 0 32 31 2 0 0 0 0 33 31 1 0 0 0 0 30 31 1 0 0 0 0 7 34 1 0 0 0 0 36 35 2 0 0 0 0 37 35 1 0 0 0 0 34 35 1 0 0 0 0 8 38 1 0 0 0 0 38 39 1 0 0 0 0 41 40 2 0 0 0 0 42 40 1 0 0 0 0 39 40 1 0 0 0 0 13 43 1 0 0 0 0 43 44 1 0 0 0 0 46 45 2 0 0 0 0 47 45 1 0 0 0 0 44 45 1 0 0 0 0 12 48 1 0 0 0 0 50 49 2 0 0 0 0 51 49 1 0 0 0 0 48 49 1 0 0 0 0 18 52 1 0 0 0 0 52 59 1 0 0 0 0 17 53 1 0 0 0 0 56 54 1 0 0 0 0 53 54 1 0 0 0 0 56 55 2 0 0 0 0 56 57 1 0 0 0 0 59 58 2 0 0 0 0 59 60 1 0 0 0 0 M END > T3D4322 > t3db > OC(=O)CCC1=C(CC(O)=O)/C2=C/C3=N/C(=C\C4=C(CCC(O)=O)C(CC(O)=O)=C(N4)/C=C4\N=C(\C=C\1/N\2)C(CCC(O)=O)=C4CC(O)=O)/C(CC(O)=O)=C3CCC(O)=O > InChI=1S/C40H38N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-27-19(3-7-35(49)50)22(10-38(55)56)30(43-27)15-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)16-31-23(11-39(57)58)18(2-6-34(47)48)26(42-31)13-25(17)41-29/h13-16,41,44H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16- > VZVFNUAIRVUCEW-UJJXFSCMSA-N > C40H38N4O16 > 830.7469 > 830.228281188 > 18 > 98 > 85.11525153387961 > 0 > 10 > 0 > 0 > 3-[9,14,20-tris(2-carboxyethyl)-5,10,15,19-tetrakis(carboxymethyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-4-yl]propanoic acid > 0.79 > 3.512340196666666 > -4.35 > 1 > 5 > -8 > 3.4816110444902053 > 3.108325482263556 > 355.76 > 201.32140000000018 > 20 > 0 > 3.75e-02 g/l > 3-[9,14,20-tris(2-carboxyethyl)-5,10,15,19-tetrakis(carboxymethyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaen-4-yl]propanoic acid > 0 > T3D4322 > Uroporphyrin III > 18273-06-8 > 3,8,13,17-Tetrakis(carboxymethyl)porphyrin-2,7,12,18-tetrapropanoate; 3,8,13,17-Tetrakis(carboxymethyl)porphyrin-2,7,12,18-tetrapropanoic acid; 3,8,13,17-Tetramethyl-2,7,12,18-Porphinetetrapropionate; 3,8,13,17-Tetramethyl-2,7,12,18-Porphinetetrapropionic acid; Coproporphyrin III > Organic Compound; Food Toxin; Metabolite; Animal Toxin; Natural Compound $$$$