Mrv1652309052211582D 25 26 0 0 1 0 999 V2000 0.2062 -2.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4405 -1.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2227 -0.9399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4153 -0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0472 0.6006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6151 1.1991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7094 0.9296 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6590 1.7531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5004 0.6953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9558 0.0073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8624 -0.8124 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2639 -1.3803 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8318 -1.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4303 -1.4108 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1222 -1.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1447 -0.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1447 -0.1733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8592 -1.4108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5737 -0.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2881 -1.4108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2881 -2.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0026 -0.9983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7171 -1.4108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4316 -0.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7171 -2.2358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 6 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 11 10 1 1 0 0 0 11 12 1 0 0 0 0 2 12 1 0 0 0 0 12 13 1 6 0 0 0 13 14 1 0 0 0 0 11 14 1 0 0 0 0 14 15 1 1 0 0 0 14 16 1 6 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 6 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 M END > NP0211607 > NP-MRD > C[C@H](CCC(=O)[C@]1(C)C[C@H]2[C@H]1CC[C@@H](C)C(=O)CCC2=C)OC(C)=O > InChI=1S/C21H32O4/c1-13-7-10-19(23)14(2)6-9-18-17(13)12-21(18,5)20(24)11-8-15(3)25-16(4)22/h14-15,17-18H,1,6-12H2,2-5H3/t14-,15-,17-,18-,21-/m1/s1 > YFANHSXVYPZBKH-SQDDPSDBSA-N > C21H32O4 > 348.483 > 348.23005951 > 3 > 57 > 39.93969646963789 > 1 > 0 > 0 > 1 > (2R)-5-[(1S,6R,9R,10R)-6,10-dimethyl-2-methylidene-5-oxobicyclo[7.2.0]undecan-10-yl]-5-oxopentan-2-yl acetate > 4.089082781666667 > 0 > 2 > 0 > 18.675439408562283 > -6.765572861404554 > 60.440000000000005 > 97.2649 > 6 > 1 > (2R)-5-[(1S,6R,9R,10R)-6,10-dimethyl-2-methylidene-5-oxobicyclo[7.2.0]undecan-10-yl]-5-oxopentan-2-yl acetate > 0 > NP0211607 > (2r)-5-[(1s,6r,9r,10r)-6,10-dimethyl-2-methylidene-5-oxobicyclo[7.2.0]undecan-10-yl]-5-oxopentan-2-yl acetate $$$$