Mrv1533007131517142D 70 74 0 0 1 0 999 V2000 9.1152 2.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0646 7.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1255 2.6503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0026 1.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3490 2.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6955 3.8891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8382 6.3647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6827 1.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3237 6.5584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6635 2.5773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5573 4.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3289 0.3962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3411 3.1623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6737 7.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9822 3.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3286 4.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6751 5.1857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7987 3.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4720 3.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1452 4.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8184 4.7728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4917 5.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1649 5.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3762 2.8824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0211 3.6026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9954 4.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2306 4.1005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6349 1.4917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5258 4.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6714 5.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3089 2.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6554 3.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0019 4.6551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3484 5.7164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1862 2.2900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7275 5.8974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8339 2.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2022 4.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4320 3.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9399 6.1432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0464 2.3293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3612 2.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7370 5.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8435 1.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0094 4.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7590 3.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4628 5.4702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8641 3.7655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1148 3.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7805 2.3826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9733 2.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5693 1.6562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8679 3.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5618 2.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5994 1.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0972 3.0621 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 4.9554 4.8084 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0619 0.9945 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4209 3.8152 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9747 2.8995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7362 3.1588 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.9889 0.6299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7374 1.1712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4081 4.4747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1168 3.3369 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 12.4516 5.0082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7980 6.0694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6884 4.3863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5535 1.6799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4392 3.0548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13 1 2 0 0 0 0 14 2 1 0 0 0 0 18 15 1 0 0 0 0 19 15 1 0 0 0 0 20 16 1 0 0 0 0 21 16 1 0 0 0 0 22 17 1 0 0 0 0 23 17 1 0 0 0 0 25 24 1 0 0 0 0 27 26 1 0 0 0 0 31 3 1 0 0 0 0 31 4 1 0 0 0 0 31 18 2 0 0 0 0 32 5 1 0 0 0 0 32 19 1 0 0 0 0 32 20 2 0 0 0 0 33 6 1 0 0 0 0 33 21 1 0 0 0 0 33 22 2 0 0 0 0 34 7 1 0 0 0 0 34 23 1 0 0 0 0 34 26 2 0 0 0 0 35 8 1 0 0 0 0 36 9 1 0 0 0 0 37 10 1 0 0 0 0 38 11 1 0 0 0 0 39 13 1 0 0 0 0 39 35 2 0 0 0 0 40 14 1 0 0 0 0 40 36 1 0 0 0 0 41 24 1 0 0 0 0 41 37 1 0 0 0 0 42 28 2 0 0 0 0 42 35 1 0 0 0 0 43 29 1 0 0 0 0 43 36 2 0 0 0 0 44 28 1 0 0 0 0 44 37 1 0 0 0 0 45 30 2 0 0 0 0 45 38 1 0 0 0 0 46 29 2 0 0 0 0 46 39 1 0 0 0 0 47 30 1 0 0 0 0 47 40 2 0 0 0 0 48 25 1 0 0 0 0 49 38 2 0 0 0 0 51 50 1 0 0 0 0 52 41 1 0 0 0 0 52 50 2 0 0 0 0 53 49 1 0 0 0 0 53 50 1 0 0 0 0 54 49 1 0 0 0 0 54 51 2 0 0 0 0 55 51 1 0 0 0 0 56 42 1 0 0 0 0 56 46 1 0 0 0 0 57 43 1 0 0 0 0 57 47 1 0 0 0 0 58 44 2 0 0 0 0 58 52 1 0 0 0 0 59 45 1 0 0 0 0 59 53 2 0 0 0 0 60 48 2 0 0 0 0 61 54 1 0 0 0 0 62 55 2 0 0 0 0 63 12 1 0 0 0 0 63 55 1 0 0 0 0 64 27 1 0 0 0 0 64 48 1 0 0 0 0 66 20 1 0 0 0 0 67 22 1 0 0 0 0 68 26 1 0 0 0 0 69 37 1 0 0 0 0 70 41 1 0 0 0 0 M CHG 3 56 -1 61 -1 65 2 M END > CHEM042246 > chemdb > [Mg++].[H]\C(CC\C(C)=C(/[H])CC\C(C)=C(/[H])COC(=O)CCC1([H])\C2=C3/C4=N/C(=C\C5=C(CC)C(C)=C(N5)\C=C5/[N-]\C(=C/C(=N2)C1([H])C)C(C)=C5C=C)/C(C)=C4C([O-])=C3C(=O)OC)=C(\C)CCC=C(C)C > 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;/h13,18,20,22,26,28-30,37,41H,1,14-17,19,21,23-25,27H2,2-12H3,(H3,56,57,58,59,61,62);/q;+2/p-2/b32-20+,33-22+,34-26+; > WKAOEMMWXHTTNH-QUTDONQVSA-L > C55H66MgN4O5 > 887.461 > 886.48836294 > 6 > 131 > 104.5770259161069 > 0 > 1 > 0 > 0 > magnesium(2+) ion (21S,22S)-16-ethenyl-11-ethyl-3-(methoxycarbonyl)-12,17,21,26-tetramethyl-22-(3-oxo-3-{[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]oxy}propyl)-7,23,24,25-tetraazahexacyclo[18.2.1.1⁵,⁸.1¹⁰,¹³.1¹⁵,¹⁸.0²,⁶]hexacosa-1,3,5(26),6,8,10,12,14,16,18,20(23)-undecaen-24-id-4-olate > 8.46 > 14.897346395 > -5.76 > 1 > 6 > 0 > 16.443555114698242 > 8.680691377510401 > 5.037852932081418 > 130.12 > 275.56399999999996 > 19 > 0 > 1.62e-03 g/l > magnesium(2+) ion (21S,22S)-16-ethenyl-11-ethyl-3-(methoxycarbonyl)-12,17,21,26-tetramethyl-22-(3-oxo-3-{[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]oxy}propyl)-7,23,24,25-tetraazahexacyclo[18.2.1.1⁵,⁸.1¹⁰,¹³.1¹⁵,¹⁸.0²,⁶]hexacosa-1,3,5(26),6,8,10,12,14,16,18,20(23)-undecaen-24-id-4-olate > 0 > geranylgeranyl-chlorophyll a $$$$