Marvin 08261110532D 45 53 0 0 1 0 999 V2000 4.7065 -3.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6451 -2.6079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3544 -2.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0851 -2.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0248 -3.5664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4427 -4.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0258 -4.9855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0871 -5.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3570 -6.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6472 -5.9471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7075 -4.9876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2896 -4.2784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2108 -3.4208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2118 -5.1321 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.5214 -5.1331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3304 -2.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5334 -2.6044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8154 -2.2308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0284 -1.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4227 -5.7366 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4209 -2.8149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9170 -6.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7040 -7.1202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9072 -7.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8180 -6.3213 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8975 -8.3452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 -8.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2779 -8.7142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5204 -3.4219 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3557 -4.2771 0.0000 Fe 0 6 0 0 0 0 0 0 0 0 0 0 4.3323 -5.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9144 -2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7864 -1.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0166 -1.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2289 -6.8989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5493 -6.7032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5961 -7.6376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4121 -7.5168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0633 -6.2564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1932 -5.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2354 -2.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5294 -1.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2142 -8.3689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5180 -5.8719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6837 -9.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 29 2 0 0 0 0 16 1 1 0 0 0 0 1 12 1 0 0 0 0 2 3 2 0 0 0 0 29 2 1 0 0 0 0 32 2 1 0 0 0 0 3 4 1 0 0 0 0 4 13 1 0 0 0 0 18 4 2 0 0 0 0 5 6 1 0 0 0 0 13 5 1 0 0 0 0 21 5 2 0 0 0 0 6 7 2 0 0 0 0 7 14 1 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 25 8 1 0 0 0 0 14 8 2 0 0 0 0 10 9 2 0 0 0 0 15 10 1 0 0 0 0 22 10 1 0 0 0 0 11 12 2 0 0 0 0 15 11 1 0 0 0 0 31 11 1 0 0 0 0 30 14 1 0 0 0 0 32 16 2 0 0 0 0 16 17 1 0 0 0 0 18 21 1 0 0 0 0 18 19 1 0 0 0 0 20 25 1 0 0 0 0 31 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 27 1 0 0 0 0 27 26 1 0 0 0 0 27 28 2 0 0 0 0 30 15 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 25 35 1 6 0 0 0 25 36 1 0 0 0 0 37 35 1 0 0 0 0 38 36 1 0 0 0 0 38 37 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 6 0 0 0 21 41 1 0 0 0 0 41 42 2 0 0 0 0 37 43 2 0 0 0 0 31 44 1 0 0 0 0 30 13 1 0 0 0 0 30 29 1 0 0 0 0 26 45 1 0 0 0 0 M CHG 3 14 1 29 1 30 -2 M END > CHEBI:62810 > cis-heme d hydroxychlorin gamma-spirolactone methyl ester > A carboxylic ester that is the methyl ester of cis-heme d hydroxychlorin γ-spirolactone. > 3 > {methyl 3-[(2RS,5'SR)-9',14'-diethenyl-5'-hydroxy-5',10',15',19'-tetramethyl-5-oxo-4,5-dihydro-3H-spiro[furan-2,4'-[21,22,23,24]tetraazapentacyclo[16.2.1.1(3,6).1(8,11).1(13,16)]tetracosa[1,3(24),6,8,10,12,14,16(22),17,19]decaen]-20'-yl-kappa(4)N(21'),N(22'),N(23'),N(24')]propanoatato(2-)}iron > C35H34FeN4O5 > 646.51300 > 646.18786 > 0 > COC(=O)CCc1c(C)c2=CC3=[N+]4C(=Cc5c(C)c(C=C)c6C=C7[N+]8=C(C=c1n2[Fe--]48n56)[C@]1(CCC(=O)O1)[C@@]7(C)O)C(C=C)=C3C > InChI=1S/C35H34N4O5.Fe/c1-8-21-18(3)24-14-25-20(5)23(10-11-32(40)43-7)29(38-25)17-31-35(13-12-33(41)44-35)34(6,42)30(39-31)16-28-22(9-2)19(4)26(37-28)15-27(21)36-24;/h8-9,14-17,42H,1-2,10-13H2,3-7H3;/q-2;+2/t34-,35+;/m0./s1 > HSOAODYTIXUNJD-PFHIRXQESA-N > 7663946 $$$$