Mrv1533004241501542D 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 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 4.6242 1.0974 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 5.3338 -1.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2298 -1.5698 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 3.2894 -0.4718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5443 -1.2564 0.0000 O 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 2.6219 -1.7817 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 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 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 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 10 18 1 0 0 0 0 18 19 1 0 0 0 0 7 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 5 21 1 0 0 0 0 21 22 2 0 0 0 0 M END > NP0162671 > NP-MRD > CC(=O)OC1CC2C(O)C3(C)CC(O)C(C)(C)C3C2(O)C1=C > InChI=1S/C17H26O5/c1-8-11(22-9(2)18)6-10-13(20)16(5)7-12(19)15(3,4)14(16)17(8,10)21/h10-14,19-21H,1,6-7H2,2-5H3 > LJXWMZGNZNLFQL-UHFFFAOYSA-N > C17H26O5 > 310.39 > 310.178023937 > 4 > 48 > 33.313068676896194 > 1 > 3 > 0 > 1 > 2,7,10-trihydroxy-8,11,11-trimethyl-3-methylidenetricyclo[6.3.0.0²,⁶]undecan-4-yl acetate > 0.62 > -0.05405151200000061 > -1.74 > 0 > 3 > 0 > 14.34408696711882 > 13.536010405652075 > -2.9376718134539033 > 86.99000000000001 > 79.59519999999999 > 2 > 1 > 5.69e+00 g/l > 2,7,10-trihydroxy-8,11,11-trimethyl-3-methylidenetricyclo[6.3.0.0²,⁶]undecan-4-yl acetate > 0 > NP0162671 > 2,7,10-trihydroxy-8,11,11-trimethyl-3-methylidenetricyclo[6.3.0.0²,⁶]undecan-4-yl acetate $$$$