6437838 -OEChem-03292409332D 67 67 0 1 0 0 0 0 0999 V2000 8.9282 -4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7942 -4.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9282 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 -3.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 -1.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 2.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 3.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8363 -4.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -3.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2163 -3.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 0.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -0.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1233 -5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 -1.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 -0.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 1.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 2.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 4.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 5.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2163 -6.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8363 -5.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 4.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 6.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 6.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 6.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7 1 1 6 0 0 0 1 46 1 0 0 0 0 2 24 1 0 0 0 0 2 29 1 0 0 0 0 3 25 1 0 0 0 0 3 30 1 0 0 0 0 4 23 2 0 0 0 0 5 12 1 0 0 0 0 5 24 1 0 0 0 0 5 52 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 1 0 0 0 6 31 1 0 0 0 0 7 9 1 0 0 0 0 7 32 1 0 0 0 0 8 11 2 0 0 0 0 8 33 1 0 0 0 0 9 14 1 0 0 0 0 9 16 2 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 18 1 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 19 2 0 0 0 0 13 20 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 27 1 0 0 0 0 16 44 1 0 0 0 0 17 20 2 0 0 0 0 17 26 1 0 0 0 0 18 21 2 0 0 0 0 18 45 1 0 0 0 0 19 23 1 0 0 0 0 19 28 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 25 1 0 0 0 0 24 25 2 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 M END > 6437838 > 1 > 809 > 5 > 2 > 10 > AAADcfB6OAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAHgAQCAAADRyhgAICAALABgCIAqRSQAIACAAgIAAICAFAAEkIFAIAAQQEUAAE0AAIkUIAAAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 2-[(2E,5E,7E,9R,10R,11E)-10-hydroxy-3,7,9,11-tetramethyl-trideca-2,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one > 2-[(2E,5E,7E,9R,10R,11E)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one > 2-[(2E,5E,7E,9R,10R,11E)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one > 2-[(2E,5E,7E,9R,10R,11E)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-1H-pyridin-4-one > 2,3-dimethoxy-5-methyl-6-[(2E,5E,7E,9R,10R,11E)-3,7,9,11-tetramethyl-10-oxidanyl-trideca-2,5,7,11-tetraenyl]-1H-pyridin-4-one > 2-[(2E,5E,7E,9R,10R,11E)-10-hydroxy-3,7,9,11-tetramethyl-trideca-2,5,7,11-tetraenyl]-5,6-dimethoxy-3-methyl-4-pyridone > InChI=1S/C25H37NO4/c1-9-18(4)22(27)19(5)15-17(3)12-10-11-16(2)13-14-21-20(6)23(28)24(29-7)25(26-21)30-8/h9-10,12-13,15,19,22,27H,11,14H2,1-8H3,(H,26,28)/b12-10+,16-13+,17-15+,18-9+/t19-,22+/m1/s1 > BBLGCDSLCDDALX-LKGBESRRSA-N > 6.1 > 415.27225866 > C25H37NO4 > 415.6 > CC=C(C)C(C(C)C=C(C)C=CCC(=CCC1=C(C(=O)C(=C(N1)OC)OC)C)C)O > C/C=C(\C)/[C@@H]([C@H](C)/C=C(\C)/C=C/C/C(=C/CC1=C(C(=O)C(=C(N1)OC)OC)C)/C)O > 67.8 > 415.27225866 > 0 > 30 > 2 > 0 > 4 > 0 > 0 > 1 > -1 > 1 5 255 > 7 1 6 12 19 8 19 23 8 23 25 8 24 25 8 5 12 8 5 24 8 6 10 5 $$$$