Mrv1533005141521442D 65 73 0 0 0 0 999 V2000 -0.0129 -0.4589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7260 -0.8655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6109 -0.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8567 0.0304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3666 0.7371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6816 0.0400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4080 0.8287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1993 1.0619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2089 0.2369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3136 -0.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9964 -0.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1459 -0.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8361 -1.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0574 -1.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8990 -0.5325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6698 -2.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9551 -1.9458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0204 -2.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1109 -3.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8642 -3.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 -3.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5284 -4.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2818 -4.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3673 -5.4968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6994 -5.9811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1206 -5.8331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2061 -6.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9595 -6.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0450 -7.8105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3771 -8.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7983 -8.1467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8838 -8.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6372 -9.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7226 -10.1241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4760 -10.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0547 -10.6084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4736 0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9809 1.3259 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.4090 -0.8496 0.0000 Mg 0 6 0 0 0 0 0 0 0 0 0 0 4.0874 -2.4880 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.5801 -3.1498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1029 -3.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3756 -4.6718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8872 -5.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3154 -3.5770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6520 -4.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3058 -2.7520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5170 -2.0257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2839 -1.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9456 -0.7417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3714 -2.9166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0334 -2.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8407 -2.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5194 -2.5892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9281 -1.2192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4810 -0.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3122 -0.8015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0696 0.1081 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 7.4051 0.9110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2459 1.1170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6624 1.8523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9402 1.6186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2624 -0.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1749 -0.8826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6220 -1.4948 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 18 17 1 4 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 28 27 1 4 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 11 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 42 45 2 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 40 47 1 0 0 0 0 47 48 2 0 0 0 0 48 49 1 0 0 0 0 3 49 2 0 0 0 0 49 50 1 0 0 0 0 39 50 1 0 0 0 0 6 50 1 0 0 0 0 41 51 1 0 0 0 0 51 52 2 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 55 2 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 56 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 59 62 2 0 0 0 0 58 63 1 0 0 0 0 37 63 1 0 0 0 0 63 64 2 0 0 0 0 64 65 1 0 0 0 0 39 65 1 0 0 0 0 52 65 1 0 0 0 0 55 64 1 0 0 0 0 8 38 1 0 0 0 0 M CHG 4 38 1 39 -2 40 1 58 -1 M END > CHEM042205 > chemdb > CCC1=C(C)C2=CC3=C(C=C)C(C)=C4C=C5C(C)C(CCC(=O)OCC=C(C)CCCC(C)CCC=C(C)CCC=C(C)C)C6=[N+]5[Mg--]5(N34)N3C(=CC1=[N+]25)C(C)=C1C(=O)[C-](C(=O)OC)C6=C31 > InChI=1S/C55H68N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,18,20,26,28-30,33,37,41H,1,14-17,19,21-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-2;+2/p-1 > QHUCPLMRABCZRD-UHFFFAOYSA-M > C55H67MgN4O5 > 888.47 > 887.49673655 > 3 > 132 > 108.64006419391623 > 0 > 0 > -1 > 0 > 17-ethenyl-12-ethyl-5-(methoxycarbonyl)-8,13,18,22-tetramethyl-6-oxo-23-{3-oxo-3-[(3,7,11,15-tetramethylhexadeca-2,10,14-trien-1-yl)oxy]propyl}-2,25λ⁵,26λ⁵,27-tetraaza-1-magnesanonacyclo[12.11.1.1¹,¹⁶.0²,⁹.0³,⁷.0⁴,²⁴.0¹¹,²⁶.0²¹,²⁵.0¹⁹,²⁷]heptacosa-3,7,9,11(26),12,14,16,18,20,24-decaene-25,26-bis(ylium)-5-ide-1,1-diuide > 3.30 > 4.775651617056511 > -7.42 > 1 > 9 > -1 > 5.420911600711325 > -6.7826147389747655 > 87.29000000000002 > 266.7467000000001 > 20 > 0 > 3.82e-05 g/l > 17-ethenyl-12-ethyl-5-(methoxycarbonyl)-8,13,18,22-tetramethyl-6-oxo-23-{3-oxo-3-[(3,7,11,15-tetramethylhexadeca-2,10,14-trien-1-yl)oxy]propyl}-2,25λ⁵,26λ⁵,27-tetraaza-1-magnesanonacyclo[12.11.1.1¹,¹⁶.0²,⁹.0³,⁷.0⁴,²⁴.0¹¹,²⁶.0²¹,²⁵.0¹⁹,²⁷]heptacosa-3,7,9,11(26),12,14,16,18,20,24-decaene-25,26-bis(ylium)-5-ide-1,1-diuide > 0 > dihydrogeranylgeranyl-chlorophyll a $$$$