Mrv1652306242120043D 33 35 0 0 0 0 999 V2000 -1.8862 2.3109 -0.4856 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9094 1.1142 0.4562 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0756 0.2605 0.0646 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9600 -1.1695 0.4635 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1276 -1.9551 -0.5101 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4100 -3.1491 -0.7111 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0360 -1.4057 -1.2121 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 -0.1509 -1.0404 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0448 -0.1926 -1.3661 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4032 -0.2338 -2.5580 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0614 -0.1862 -0.3313 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2898 -0.7546 -0.5116 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6629 -1.3771 -1.6725 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2202 -0.7068 0.5321 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9183 -0.1055 1.7165 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6683 0.4614 1.8728 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7218 0.4350 0.8654 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4574 0.9813 0.9540 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6255 0.3172 0.3579 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2645 2.0106 -1.4994 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9001 2.7653 -0.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6589 3.0335 -0.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0137 1.5302 1.4769 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1840 0.2956 -1.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0201 0.6633 0.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9927 -1.6194 0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6515 -1.3374 1.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8836 0.5331 -1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1704 -1.5272 -2.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2021 -1.1479 0.4199 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6121 -0.0418 2.5639 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3897 0.9486 2.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8201 -0.6000 0.9891 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 5 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 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 2 1 0 0 0 0 19 8 1 0 0 0 0 17 11 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 23 1 1 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 8 28 1 6 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 19 33 1 1 0 0 0 M END > NP0014527 > NP-MRD > [H]OC1=C2C(O[C@]3([H])[C@]([H])(OC(=O)C([H])([H])C([H])([H])[C@]3([H])C([H])([H])[H])C2=O)=C([H])C([H])=C1[H] > InChI=1S/C14H14O5/c1-7-5-6-10(16)19-14-12(17)11-8(15)3-2-4-9(11)18-13(7)14/h2-4,7,13-15H,5-6H2,1H3/t7-,13-,14+/m0/s1 > JAOMWMISXKPYMS-HNWMMTHTSA-N > C14H14O5 > 262.261 > 262.084123551 > 4 > 33 > 25.925465305092395 > 1 > 1 > 0 > 1 > (1S,10S,15S)-7-hydroxy-15-methyl-2,11-dioxatricyclo[8.5.0.0^{3,8}]pentadeca-3,5,7-triene-9,12-dione > 1.88 > 2.480276981333333 > -1.72 > 0 > 3 > 0 > 11.836401302681715 > 8.654135488137866 > -4.930059263655153 > 72.83000000000001 > 65.17300000000002 > 0 > 1 > 5.02e+00 g/l > (1S,10S,15S)-7-hydroxy-15-methyl-2,11-dioxatricyclo[8.5.0.0^{3,8}]pentadeca-3,5,7-triene-9,12-dione > 0 > NP0014527 > Guignarlactone A $$$$