Mrv1533004201505002D 27 28 0 0 0 0 999 V2000 3.2236 1.3675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4936 0.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3038 0.4321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9535 -0.0357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2236 -0.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0337 -0.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5738 -0.3475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3839 -0.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6540 -1.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1139 -1.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3839 -2.6861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8439 -3.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0337 -3.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4936 -3.7775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6835 -3.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6706 -4.4465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8689 -3.7522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4135 -2.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9535 -2.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6835 -1.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8734 -1.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6033 -0.5034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3333 -1.9066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5231 -1.7507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6033 -2.6861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1941 -2.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8136 0.4419 0.0000 C 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 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 4 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 4 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 5 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 18 25 1 0 0 0 0 11 26 1 0 0 0 0 7 27 1 0 0 0 0 M END > NP0225914 > NP-MRD > CC(=O)OC1CC(C)=CCCC(C)=CCCC(C)(O)C2CC1C(=C)C(=O)O2 > InChI=1S/C22H32O5/c1-14-8-6-9-15(2)12-19(26-17(4)23)18-13-20(27-21(24)16(18)3)22(5,25)11-7-10-14/h9-10,18-20,25H,3,6-8,11-13H2,1-2,4-5H3 > WMGWWFHPPNGBBT-UHFFFAOYSA-N > C22H32O5 > 376.493 > 376.22497413 > 3 > 59 > 41.19249292609791 > 1 > 1 > 0 > 1 > 12-hydroxy-4,8,12-trimethyl-16-methylidene-15-oxo-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-2-yl acetate > 3.96 > 3.698613791333334 > -4.33 > 0 > 2 > 0 > 14.021388882813543 > -3.2268445026573565 > 72.83 > 105.32509999999999 > 2 > 1 > 1.77e-02 g/l > 12-hydroxy-4,8,12-trimethyl-16-methylidene-15-oxo-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-2-yl acetate > 0 > NP0225914 > 12-hydroxy-4,8,12-trimethyl-16-methylidene-15-oxo-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-2-yl acetate $$$$