Mrv0541 02241221462D 64 69 0 0 0 0 999 V2000 -4.5327 -4.3596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8182 -3.9471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1038 -4.3596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1038 -5.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3893 -5.5971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3893 -6.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1038 -6.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6748 -6.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9604 -6.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2459 -6.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4686 -6.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4686 -5.5971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1830 -6.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8975 -6.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6120 -6.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3265 -6.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3265 -5.5971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0409 -6.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7554 -6.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4699 -6.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1843 -6.4221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1843 -5.5971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8988 -6.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8182 -3.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5327 -2.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5327 -1.8846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8653 -1.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1202 -0.6151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9452 -0.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4601 0.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4277 1.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9126 1.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4277 2.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6826 3.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4896 3.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6430 2.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7024 2.7446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8781 2.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2106 3.1972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5432 2.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7981 1.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6231 1.9276 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2833 0.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3157 0.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1350 0.0657 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2959 -0.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9017 -1.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5564 -2.0527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7371 -1.9557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1771 -2.5615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5761 -1.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9703 -0.5865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1612 -0.7475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9595 -2.7725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7844 -2.7833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5376 -3.4815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7127 -3.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7586 2.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1455 2.4152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2106 4.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6430 1.4048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7376 1.8173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2002 -1.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9848 -1.6547 0.0000 C 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 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 2 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 2 0 0 0 0 33 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 38 42 1 0 0 0 0 41 43 1 0 0 0 0 43 44 2 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 27 47 2 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 2 0 0 0 0 49 51 1 0 0 0 0 46 51 1 0 0 0 0 51 52 2 0 0 0 0 44 52 1 0 0 0 0 52 53 1 0 0 0 0 48 54 1 0 0 0 0 54 55 2 0 0 0 0 54 56 1 0 0 0 0 56 57 1 0 0 0 0 40 58 1 0 0 0 0 58 59 1 0 0 0 0 39 60 1 0 0 0 0 36 61 2 0 0 0 0 31 61 1 0 0 0 0 32 62 1 0 0 0 0 29 63 1 0 0 0 0 26 63 1 0 0 0 0 63 64 1 0 0 0 0 M END > FDB007170 > foodb > CCC1=C(C)\C2=C\C3=N\C(=C/C4=N/C(/C(CCC(=O)OC\C=C(/C)CCCC(C)CCCC(C)CCCC(C)C)C4C)=C4/C(C(=O)OC)C(=O)C5=C(C)\C(=C\C1=N2)N=C45)\C(C)=C3C=C > InChI=1S/C55H72N4O5/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/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3/b34-26+,42-28-,43-29-,44-28-,45-30-,46-29-,47-30-,52-50- > QRIBXHKKLNWYAT-PNKASSELSA-N > C55H72N4O5 > 869.184 > 868.550271434 > 7 > 107.47552379811003 > 0 > 0 > 0 > 0 > methyl 16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-(3-oxo-3-{[(2E)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-7,23,24,25-tetraazahexacyclo[18.2.1.1⁵,⁸.1¹⁰,¹³.1¹⁵,¹⁸.0²,⁶]hexacosa-1,5(26),6,8,10(25),11,13,15(24),16,18,20(23)-undecaene-3-carboxylate > 8.31 > 10.47443594513327 > -6.26 > 1 > 6 > 0 > -0.714270490351872 > 7.23505734510594 > 119.10999999999999 > 266.86279999999994 > 22 > 0 > 4.81e-04 g/l > methyl 16-ethenyl-11-ethyl-12,17,21,26-tetramethyl-4-oxo-22-(3-oxo-3-{[(2E)-3,7,11,15-tetramethylhexadec-2-en-1-yl]oxy}propyl)-7,23,24,25-tetraazahexacyclo[18.2.1.1⁵,⁸.1¹⁰,¹³.1¹⁵,¹⁸.0²,⁶]hexacosa-1,5(26),6,8,10(25),11,13,15(24),16,18,20(23)-undecaene-3-carboxylate > 0 > FDB007170 > Pheophytin A $$$$