Mrv1652309022200072D 24 27 0 0 1 0 999 V2000 -1.1830 -3.1984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6527 -2.5665 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1703 -2.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4794 -1.8591 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1525 -1.3288 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0092 -0.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7660 -0.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 -0.7646 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9915 -0.1915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8085 -0.0767 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9518 0.7357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5369 -0.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8985 -1.2056 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7552 -2.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1617 -2.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5233 -3.3327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3447 -2.7059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6163 -2.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2547 -1.5770 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7376 -2.0763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0963 -1.5573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2555 -1.5762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8522 -1.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6171 -1.4569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 4 3 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 8 7 1 1 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 1 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 19 18 1 1 0 0 0 8 19 1 0 0 0 0 4 19 1 0 0 0 0 17 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 13 22 1 1 0 0 0 5 23 1 6 0 0 0 2 23 1 0 0 0 0 23 24 2 0 0 0 0 M END > NP0223324 > NP-MRD > C[C@@H]1C[C@H]2[C@@H](C=C[C@H]3C[C@@H](O)C[C@@H]4CC(=O)C(=C[C@@H]23)C(=O)O4)C1=O > InChI=1S/C19H22O5/c1-9-4-15-13(18(9)22)3-2-10-5-11(20)6-12-7-17(21)16(8-14(10)15)19(23)24-12/h2-3,8-15,20H,4-7H2,1H3/b16-8-/t9-,10+,11-,12-,13-,14-,15+/m1/s1 > BYUKEFZLYIFNCB-CMOJIJIZSA-N > C19H22O5 > 330.38 > 330.146723808 > 4 > 46 > 34.30100027352344 > 1 > 1 > 0 > 1 > (3R,4R,6R,8R,11R,13R,15R)-13-hydroxy-6-methyl-16-oxatetracyclo[13.2.2.0^{3,11}.0^{4,8}]nonadeca-1,9-diene-7,17,18-trione > 1.10 > 1.8711610139999992 > -3.41 > 0 > 4 > 0 > 16.511128930864526 > 15.119190501279586 > -2.7308758676339426 > 80.66999999999999 > 88.21959999999999 > 0 > 1 > 1.29e-01 g/l > (3R,4R,6R,8R,11R,13R,15R)-13-hydroxy-6-methyl-16-oxatetracyclo[13.2.2.0^{3,11}.0^{4,8}]nonadeca-1,9-diene-7,17,18-trione > 0 > NP0223324 > (1e,3r,4r,6r,8r,11r,13r,15r)-13-hydroxy-6-methyl-16-oxatetracyclo[13.2.2.0³,¹¹.0⁴,⁸]nonadeca-1,9-diene-7,17,18-trione $$$$