Mrv0541 02231218502D 60 64 0 0 0 0 999 V2000 -1.4888 2.0608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0759 1.4849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7577 1.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4736 2.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7085 0.7425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9017 1.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0076 1.9585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8940 0.8637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1858 3.3070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0986 -0.0189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3108 2.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7235 1.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1668 4.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7085 -0.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1366 2.2084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8941 2.9206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4357 2.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8977 0.8448 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8714 4.5571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4433 4.5268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0797 -1.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8902 -0.8940 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0456 1.5228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4320 2.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7161 0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4925 -2.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9017 -1.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7577 -1.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8676 1.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1440 3.3108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0266 0.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5001 -2.9055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2995 -2.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0076 -1.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2805 2.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1403 4.1405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8562 2.8979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6970 -0.7577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2198 -3.3146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1253 -2.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7311 -1.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1026 2.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0494 -1.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8788 -0.8637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2236 -4.1442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9282 -2.8903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5230 -2.9737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5420 -1.5417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4546 -2.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5117 2.9624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5117 1.5304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8751 -1.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5342 -2.8866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2768 -2.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2881 -3.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1063 -2.2463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8487 -2.9472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3638 -4.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1176 -4.3866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6895 -4.5192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 2 0 0 0 0 9 13 1 0 0 0 0 10 14 2 0 0 0 0 11 15 1 0 0 0 0 11 16 2 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 13 20 2 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 17 23 2 0 0 0 0 17 24 1 0 0 0 0 18 25 2 0 0 0 0 21 26 2 0 0 0 0 21 27 1 0 0 0 0 22 28 2 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 31 1 0 0 0 0 26 32 1 0 0 0 0 27 33 1 0 0 0 0 28 34 1 0 0 0 0 29 35 1 0 0 0 0 30 36 1 0 0 0 0 30 37 2 0 0 0 0 31 38 2 0 0 0 0 32 39 1 0 0 0 0 33 40 1 0 0 0 0 34 41 2 0 0 0 0 35 42 1 0 0 0 0 38 43 1 0 0 0 0 38 44 1 0 0 0 0 39 45 1 0 0 0 0 39 46 2 0 0 0 0 40 47 1 0 0 0 0 40 48 2 0 0 0 0 41 49 1 0 0 0 0 42 50 1 0 0 0 0 42 51 2 0 0 0 0 43 52 1 0 0 0 0 49 53 1 0 0 0 0 52 54 1 0 0 0 0 53 55 1 0 0 0 0 54 56 1 0 0 0 0 54 57 2 0 0 0 0 55 58 1 0 0 0 0 58 59 1 0 0 0 0 58 60 2 0 0 0 0 5 8 1 0 0 0 0 23 25 1 0 0 0 0 26 28 1 0 0 0 0 41 44 1 0 0 0 0 43 49 2 0 0 0 0 M END > T3D4324 > 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(CC(O)=O)=C4CCC(O)=O)/C(CC(O)=O)=C3CCC(O)=O > InChI=1S/C40H38N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-26-19(3-7-35(49)50)23(11-39(57)58)31(43-26)16-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)15-27-18(2-6-34(47)48)22(10-38(55)56)30(42-27)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-,26-14-,27-15-,28-16-,29-14-,30-13-,31-16-,32-15- > DAFUFNRZWDWXJP-JRHDEHKPSA-N > C40H38N4O16 > 830.7469 > 830.228281188 > 18 > 84.92223249243303 > 0 > 10 > 0 > 0 > 3-[9,14,19-tris(2-carboxyethyl)-5,10,15,20-tetrakis(carboxymethyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1³,⁶.1⁸,¹¹.1¹³,¹⁶]tetracosa-1(21),2,4,6,8(23),9,11,13,15,17,19-undecaen-4-yl]propanoic acid > 0.76 > 3.512340196666666 > -4.35 > 1 > 5 > -8 > 3.5332794019939295 > 3.1649771690291857 > 355.76 > 201.3214000000002 > 20 > 0 > 3.71e-02 g/l > uroporphyrin I > 0 > T3D4324 > Uroporphyrin I > 607-14-7 > 2,7,12,17-Porphinetetrapropionate; 2,7,12,17-Porphinetetrapropionic acid; 3,3',3'',3'''-(3,8,13,18-Tetrakis-carboxymethyl-21H,23H-porphine-2,7,12,17-tetrayl)-tetrakis-propionate; 3,3',3'',3'''-(3,8,13,18-Tetrakis-carboxymethyl-21H,23H-porphine-2,7,12,17-tetrayl)-tetrakis-propionic acid; 3,3',3'',3'''-(3,8,13,18-Tetrakis-carboxymethyl-porphyrin-2,7,12,17-tetrayl)-tetra-propionate; 3,3',3'',3'''-(3,8,13,18-Tetrakis-carboxymethyl-porphyrin-2,7,12,17-tetrayl)-tetra-propionic acid; 3,8,13,18-Tetrakis(carboxymethyl)porphyrin-2,7,12,17-tetrapropanoate; 3,8,13,18-Tetrakis(carboxymethyl)porphyrin-2,7,12,17-tetrapropanoic acid; 3-[7,12,17-Tris-(2-carboxy-ethyl)-3,8,13,18-tetrakis-carboxymethyl-22,24-dihydro-porphin-2-yl]-propionate; 3-[7,12,17-Tris-(2-carboxy-ethyl)-3,8,13,18-tetrakis-carboxymethyl-22,24-dihydro-porphin-2-yl]-propionic acid > Organic Compound; Food Toxin; Metabolite; Animal Toxin; Natural Compound $$$$