Mrv1652304292202102D 24 27 0 0 1 0 999 V2000 -0.5821 -0.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4959 -1.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2578 -1.6275 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9252 -1.1425 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8390 -0.3220 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0853 0.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7651 0.0135 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4326 -0.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3463 -1.2919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5926 -1.6275 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3377 -2.4121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5127 -2.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0278 -3.0795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1862 -0.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8805 0.8304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2308 1.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3462 2.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7532 2.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1154 3.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9323 3.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0749 2.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8162 2.1803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8684 0.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3553 -2.1795 0.0000 C 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 4 3 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 4 10 1 0 0 0 0 10 11 1 6 0 0 0 11 12 1 0 0 0 0 3 12 1 0 0 0 0 12 13 2 0 0 0 0 8 14 1 0 0 0 0 7 15 1 1 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 17 21 1 0 0 0 0 21 22 2 0 0 0 0 5 23 1 1 0 0 0 3 24 1 6 0 0 0 M END > NP0079107 > NP-MRD > CC1=C[C@@H]2OC(=O)[C@@]3(C)CCC[C@@](C)([C@@H]23)[C@H]1CCC1=CCOC1=O > InChI=1S/C20H26O4/c1-12-11-15-16-19(2,8-4-9-20(16,3)18(22)24-15)14(12)6-5-13-7-10-23-17(13)21/h7,11,14-16H,4-6,8-10H2,1-3H3/t14-,15-,16+,19+,20-/m0/s1 > CKFAKQNJAVDAAI-GPEJODLCSA-N > C20H26O4 > 330.424 > 330.183109317 > 2 > 50 > 36.360150041927824 > 1 > 0 > 0 > 1 > (1S,4S,8R,9S,12R)-4,8,10-trimethyl-9-[2-(2-oxo-2,5-dihydrofuran-3-yl)ethyl]-2-oxatricyclo[6.3.1.0^{4,12}]dodec-10-en-3-one > 4.12 > 3.8941802196666675 > -4.73 > 0 > 4 > 0 > 13.394091497565036 > -6.6816397679410615 > 52.6 > 91.01479999999998 > 3 > 1 > 6.21e-03 g/l > (1S,4S,8R,9S,12R)-4,8,10-trimethyl-9-[2-(2-oxo-5H-furan-3-yl)ethyl]-2-oxatricyclo[6.3.1.0^{4,12}]dodec-10-en-3-one > 0 > NP0079107 > (+)-Hypopurin D $$$$