Mrv1533004151518122D 22 24 0 0 0 0 999 V2000 -0.2279 -0.4296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5568 -0.1747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7283 0.6323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1699 -0.7267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9545 -0.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2094 0.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0344 0.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7795 1.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7019 0.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7019 1.6227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3693 0.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1943 0.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4492 -0.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2339 -0.7267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7818 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7818 -1.7817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1144 -0.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8594 -1.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2894 -0.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6219 -0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0269 -1.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2169 -1.6755 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 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 11 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 7 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 20 22 1 0 0 0 0 M END > NP0295001 > NP-MRD > CC(=O)OC1CC2(C)C(O)C3CC(O)C(=C)C3(O)C2C1(C)C > InChI=1S/C17H26O5/c1-8-11(19)6-10-13(20)16(5)7-12(22-9(2)18)15(3,4)14(16)17(8,10)21/h10-14,19-21H,1,6-7H2,2-5H3 > MMUAIEFHRONVGA-UHFFFAOYSA-N > C17H26O5 > 310.39 > 310.178023937 > 4 > 48 > 32.786743079425904 > 1 > 3 > 0 > 1 > 1,7,10-trihydroxy-3,3,6-trimethyl-11-methylidenetricyclo[6.3.0.0²,⁶]undecan-4-yl acetate > 0.70 > -0.05405151200000061 > -1.75 > 0 > 3 > 0 > 14.323276905729493 > 13.524433918751903 > -3.002848229363577 > 86.99000000000001 > 79.5952 > 2 > 1 > 5.47e+00 g/l > 1,7,10-trihydroxy-3,3,6-trimethyl-11-methylidenetricyclo[6.3.0.0²,⁶]undecan-4-yl acetate > 0 > NP0295001 > 1,7,10-trihydroxy-3,3,6-trimethyl-11-methylidenetricyclo[6.3.0.0²,⁶]undecan-4-yl acetate $$$$