Mrv1652306242119523D 33 33 0 0 0 0 999 V2000 -2.8394 -1.9021 0.5993 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5897 -0.6695 0.2707 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0570 0.5499 0.1334 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6146 0.8409 0.2944 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0936 2.0254 0.1616 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3158 2.4141 0.2959 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3126 1.3518 0.5340 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5183 0.3644 -0.5780 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5655 -0.6088 -0.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7232 -0.7839 -0.6943 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7225 -1.7631 -0.1510 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0138 -2.7538 -1.0563 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1611 1.4274 -0.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0795 2.6528 -0.3892 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3590 0.6817 -0.2290 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0249 -0.6155 0.0497 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8665 -1.5609 0.0930 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4660 -2.5653 1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5988 -2.4943 -0.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9568 -1.6298 1.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9438 0.0295 0.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8314 2.8243 -0.0849 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4333 3.2174 1.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6117 2.9404 -0.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3195 1.8588 0.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1611 0.7966 1.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9805 0.8636 -1.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6811 -0.2340 -0.8954 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3314 -1.1644 0.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9236 -0.2092 -1.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6705 -1.1978 0.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3856 -2.2061 0.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8121 -2.4805 -1.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 3 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 4 21 1 0 0 0 0 5 22 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 M END > NP0014051 > NP-MRD > [H]OC([H])([H])C(\[H])=C(/[H])C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C1=C(C(=O)OC1=O)C([H])([H])[H] > InChI=1S/C13H16O4/c1-10-11(13(16)17-12(10)15)8-6-4-2-3-5-7-9-14/h5-8,14H,2-4,9H2,1H3/b7-5+,8-6+ > YYVDIYHSDASGBV-KQQUZDAGSA-N > C13H16O4 > 236.267 > 236.104858995 > 3 > 33 > 25.346911451787072 > 1 > 1 > 0 > 1 > 3-[(1E,6E)-8-hydroxyocta-1,6-dien-1-yl]-4-methyl-2,5-dihydrofuran-2,5-dione > 2.44 > 2.4583915093333335 > -2.89 > 0 > 1 > 0 > 16.08147403562968 > -2.325763256815578 > 63.6 > 66.33070000000001 > 6 > 1 > 3.02e-01 g/l > 3-[(1E,6E)-8-hydroxyocta-1,6-dien-1-yl]-4-methylfuran-2,5-dione > 0 > NP0014051 > Tricladolide B $$$$