Mrv1652305231920392D 57 61 0 0 0 0 999 V2000 10.3086 -4.6826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0333 -5.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6021 -5.0994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1601 -5.9146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7671 -4.7098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3648 -5.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9755 -6.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3921 -6.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9755 -7.4727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1601 -7.6087 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3648 -8.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0333 -8.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7671 -8.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3086 -8.8406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6021 -8.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4752 -7.6087 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6599 -7.4727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2885 -8.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8682 -8.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2432 -6.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6599 -6.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4752 -5.9146 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8682 -4.7098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2885 -5.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4641 -8.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7671 -9.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1893 -5.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8682 -3.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4737 -10.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6150 -4.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1617 -3.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4737 -10.8789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1893 -11.2865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7671 -11.2865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4394 -4.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8560 -3.8855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8470 -5.3169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1617 -2.6445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4370 -2.2368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8682 -2.2368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8682 -9.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1893 -8.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7671 -3.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4641 -5.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1617 -10.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6150 -8.9222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2074 -9.6469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4394 -8.9222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4827 -3.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1893 -3.8855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4737 -2.6445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0384 -4.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4460 -3.8764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2140 -4.6011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1771 -10.8810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9005 -11.2807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4691 -11.3075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 5 2 1 0 0 0 0 4 2 1 0 0 0 0 22 3 2 0 0 0 0 23 3 1 0 0 0 0 7 4 1 0 0 0 0 6 5 2 0 0 0 0 43 5 1 0 0 0 0 7 6 1 0 0 0 0 27 6 1 0 0 0 0 8 7 2 0 0 0 0 9 8 1 0 0 0 0 10 9 2 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 13 11 2 0 0 0 0 42 11 1 0 0 0 0 13 12 1 0 0 0 0 14 12 2 0 0 0 0 26 13 1 0 0 0 0 15 14 1 0 0 0 0 16 15 1 0 0 0 0 19 15 2 0 0 0 0 17 16 1 0 0 0 0 18 17 2 0 0 0 0 20 17 1 0 0 0 0 19 18 1 0 0 0 0 25 18 1 0 0 0 0 41 19 1 0 0 0 0 21 20 2 0 0 0 0 22 21 1 0 0 0 0 24 21 1 0 0 0 0 24 23 2 0 0 0 0 28 23 1 0 0 0 0 44 24 1 0 0 0 0 29 26 1 0 0 0 0 30 27 1 0 0 0 0 31 28 1 0 0 0 0 32 29 1 0 0 0 0 35 30 1 0 0 0 0 38 31 1 0 0 0 0 33 32 2 0 0 0 0 34 32 1 0 0 0 0 36 35 2 0 0 0 0 37 35 1 0 0 0 0 39 38 2 0 0 0 0 40 38 1 0 0 0 0 45 41 1 0 0 0 0 46 42 1 0 0 0 0 49 43 1 0 0 0 0 52 44 1 0 0 0 0 47 46 2 0 0 0 0 48 46 1 0 0 0 0 50 49 2 0 0 0 0 51 49 1 0 0 0 0 53 52 2 0 0 0 0 54 52 1 0 0 0 0 56 55 2 0 0 0 0 57 55 1 0 0 0 0 45 55 1 0 0 0 0 M END > BMDB0000815 > bmdb > CC1=C2NC(\C=C3/N=C(/C=C4\N\C(=C/C5=N/C(=C\2)/C(CC(O)=O)=C5CCC(O)=O)C(CC(O)=O)=C4CCC(O)=O)C(CC(O)=O)=C3CCC(O)=O)=C1CCC(O)=O > InChI=1S/C39H38N4O14/c1-17-18(2-6-33(44)45)26-14-27-20(4-8-35(48)49)23(11-38(54)55)31(42-27)16-29-21(5-9-36(50)51)24(12-39(56)57)32(43-29)15-28-19(3-7-34(46)47)22(10-37(52)53)30(41-28)13-25(17)40-26/h13-16,40,43H,2-12H2,1H3,(H,44,45)(H,46,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)/b25-13-,26-14-,27-14-,28-15-,29-16-,30-13-,31-16-,32-15- > QNZLBNVYKHQNCQ-PKXAPQLQSA-N > C39H38N4O14 > 786.7374 > 786.238451944 > 16 > 95 > 82.60420700199309 > 0 > 9 > 0 > 0 > 3-[9,15,19-tris(2-carboxyethyl)-5,10,20-tris(carboxymethyl)-14-methyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1(21),2,4,6,8(23),9,11,13,15,17,19-undecaen-4-yl]propanoic acid > 1.13 > 2.9084222761887895 > -4.38 > 1 > 5 > -7 > 3.573186925994084 > 3.2017581005018205 > 5.130292833923335 > 318.46 > 195.05500000000023 > 18 > 0 > 3.30e-02 g/l > 3-[9,15,19-tris(2-carboxyethyl)-5,10,20-tris(carboxymethyl)-14-methyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1(21),2,4,6,8(23),9,11,13,15,17,19-undecaen-4-yl]propanoic acid > 0 > BMDB0000815 > Pseudouroporphyrin > 21H,23H-Porphine-2,3,7,8,12,13,17-heptacarboxylate; 21H,23H-Porphine-2,3,7,8,12,13,17-heptacarboxylic acid; 3,8,13-tris(carboxymethyl)-17-methyl-2,7,12,18-Porphinetetrapropionate; 3,8,13-tris(carboxymethyl)-17-methyl-2,7,12,18-Porphinetetrapropionic acid; Heptacarboxylic porphyrin: 3,8,13-tris(carboxymethyl)-17-methyl-21H,23H-Porphine-2,7,12,18-tetrapropanoate; Heptacarboxylic porphyrin: 3,8,13-tris(carboxymethyl)-17-methyl-21H,23H-Porphine-2,7,12,18-tetrapropanoic acid; Phyriaporphyrin $$$$