Mrv1652309112222092D 20 22 0 0 1 0 999 V2000 2.0628 -1.7711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3919 -0.9831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2169 -0.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4664 -0.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7956 0.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1316 -0.2003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5940 0.4036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2934 1.4347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7115 -0.3594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0474 -0.8490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0445 -0.0291 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8984 -0.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1364 0.7908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5277 1.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2837 0.9500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0930 0.0870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9477 1.4395 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6991 2.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5206 2.1111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7037 1.1091 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 2 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 1 0 0 0 10 11 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 1 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 6 0 0 0 15 17 1 0 0 0 0 17 18 1 1 0 0 0 17 19 1 6 0 0 0 17 20 1 0 0 0 0 5 20 1 0 0 0 0 M END > NP0319231 > NP-MRD > CC1=COC2=C1C(=O)[C@H]1O[C@]1(C)CC[C@@H](O)[C@](C)(O)C2 > InChI=1S/C15H20O5/c1-8-7-19-9-6-14(2,18)10(16)4-5-15(3)13(20-15)12(17)11(8)9/h7,10,13,16,18H,4-6H2,1-3H3/t10-,13-,14-,15-/m1/s1 > WBDLQMCDPMDZDU-JUDXGUMMSA-N > C15H20O5 > 280.32 > 280.131073744 > 4 > 40 > 28.635187788560476 > 1 > 2 > 0 > 1 > (3S,5R,8R,9R)-8,9-dihydroxy-5,9,14-trimethyl-4,12-dioxatricyclo[9.3.0.0^{3,5}]tetradeca-1(11),13-dien-2-one > 0.7196311430000001 > 0 > 3 > 0 > 14.82066443820188 > 13.494403465341549 > -2.867131902110852 > 83.2 > 71.9242 > 0 > 1 > (3S,5R,8R,9R)-8,9-dihydroxy-5,9,14-trimethyl-4,12-dioxatricyclo[9.3.0.0^{3,5}]tetradeca-1(11),13-dien-2-one > 0 > NP0319231 > (3s,5r,8r,9r)-8,9-dihydroxy-5,9,14-trimethyl-4,12-dioxatricyclo[9.3.0.0³,⁵]tetradeca-1(11),13-dien-2-one $$$$