Marvin 07021014442D 62 66 0 0 1 0 999 V2000 10.0941 -2.6366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3633 -2.2455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8457 -2.3554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9603 -3.4465 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7661 -2.8254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3736 -1.4218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5799 -2.6641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1436 -3.5735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9391 -2.8219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4574 -2.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6632 -1.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2903 -2.2421 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7550 -3.4706 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.7490 -4.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5342 -2.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6735 -0.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9079 -2.7911 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2869 -1.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4976 -2.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5751 -3.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1436 -5.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7107 -2.0979 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.9493 -1.3911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9666 0.2389 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.3907 0.2251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7315 -2.7877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0005 -0.9964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8839 -4.3112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7661 -5.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9569 -5.2069 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1364 -2.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0005 -0.1728 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 13.7178 -1.4049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5544 -5.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3597 -6.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9562 -5.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0907 -6.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9634 -2.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9114 -5.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7377 -5.1863 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3529 -7.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6680 -6.7303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8457 -6.3048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3717 -1.3465 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 15.3820 -2.7773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3108 -6.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7074 -5.6049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5867 -5.9962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6289 -7.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8583 -6.8678 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.1897 -7.3652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3897 -7.2039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2909 -6.1813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6255 -8.4702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1447 -7.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0869 -5.9653 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 14.0850 -6.9810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9152 -8.8751 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.3358 -8.8819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2202 -8.3706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5442 -8.8443 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 13.9786 -8.7104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 2 5 1 0 0 0 0 2 6 1 6 0 0 0 3 7 2 0 0 0 0 4 8 1 0 0 0 0 5 9 1 1 0 0 0 5 10 1 6 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 14 2 0 0 0 0 9 15 1 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 1 0 0 0 12 19 1 6 0 0 0 13 20 1 0 0 0 0 14 21 1 0 0 0 0 15 22 1 0 0 0 0 15 23 2 0 0 0 0 16 24 1 0 0 0 0 16 25 2 0 0 0 0 17 26 1 6 0 0 0 18 27 1 0 0 0 0 20 28 2 0 0 0 0 21 29 2 0 0 0 0 21 30 1 0 0 0 0 26 31 1 0 0 0 0 27 32 1 0 0 0 0 27 33 2 0 0 0 0 28 34 1 0 0 0 0 29 35 1 0 0 0 0 29 36 1 0 0 0 0 30 37 1 0 0 0 0 31 38 1 0 0 0 0 34 39 2 0 0 0 0 34 40 1 0 0 0 0 35 41 1 0 0 0 0 36 42 1 0 0 0 0 37 43 1 0 0 0 0 38 44 1 0 0 0 0 38 45 2 0 0 0 0 39 46 1 0 0 0 0 39 47 1 0 0 0 0 40 48 1 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 46 52 1 0 0 0 0 47 53 1 0 0 0 0 49 54 1 0 0 0 0 52 55 1 0 0 0 0 53 56 1 0 0 0 0 53 57 2 0 0 0 0 54 58 1 0 0 0 0 54 59 2 0 0 0 0 55 60 1 0 0 0 0 60 61 1 0 0 0 0 60 62 2 0 0 0 0 5 8 1 0 0 0 0 17 20 1 0 0 0 0 35 37 2 0 0 0 0 43 48 1 0 0 0 0 46 48 2 0 0 0 0 M CHG 8 13 1 22 -1 24 -1 32 -1 44 -1 50 -1 56 -1 58 -1 M CHG 1 61 -1 M END > CHEBI:58827 > precorrin-2(7-) > Heptaanionic form of precorrin-2. > 3 > precorrin-2 heptaanion; precorrin-2 > 3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxylatomethyl)-8,13-dimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,12,18-tetrayl]tetrapropanoate > C42H41N4O16 > 857.79210 > 857.25560 > -7 > C[C@]1(CC([O-])=O)[C@H](CCC([O-])=O)\C2=C\c3[nH]c(Cc4[nH]c(\C=C5/N=C(/C=C1\[NH2+]2)[C@@H](CCC([O-])=O)[C@]5(C)CC([O-])=O)c(CC([O-])=O)c4CCC([O-])=O)c(CCC([O-])=O)c3CC([O-])=O > InChI=1S/C42H48N4O16/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29/h14-16,23-24,43-45H,3-13,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/p-7/b29-14-,31-15-,32-16-/t23-,24-,41+,42+/m1/s1 > OQIIYZQTTMKFAU-ZNLOQLQNSA-G $$$$