Mrv1652306242119503D 40 42 0 0 0 0 999 V2000 2.0458 2.2487 -1.6696 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0712 0.9585 -0.9667 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0993 0.1043 -1.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8126 -1.0689 -0.2166 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4621 -2.1438 -0.1809 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5784 -0.7863 0.5824 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0089 -0.5185 1.9882 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5899 -1.9025 0.4997 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3962 -2.5777 1.6914 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6352 -1.3356 -0.1051 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5433 -0.6193 0.8439 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3058 0.3056 -0.0821 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8064 1.5355 0.5921 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4733 -0.4643 -0.6294 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2904 0.6719 -1.1381 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0939 -0.1864 -0.9493 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9876 0.4042 -0.1121 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5720 1.4039 0.7417 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6491 3.0271 -0.9569 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4519 2.2352 -2.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0882 2.6118 -1.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0149 0.2641 -1.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1677 -0.3420 2.6838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6942 0.3216 2.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5380 -1.4194 2.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0070 -2.6631 -0.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0800 -3.3169 1.7685 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2236 -2.0125 -0.7224 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2578 -1.3766 1.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0481 -0.0372 1.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7422 1.3793 1.1669 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0801 2.2692 -0.2152 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0658 2.0538 1.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3396 0.1798 -0.8821 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8399 -1.1203 0.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1880 -1.1507 -1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7584 0.3834 -2.1242 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0957 1.7483 -1.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3384 -0.5846 -1.8922 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1342 1.5204 1.5242 H 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 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 1 0 0 0 6 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 11 12 1 0 0 0 0 12 13 1 1 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 1 0 0 0 17 2 1 0 0 0 0 17 6 1 0 0 0 0 16 10 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 3 22 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 26 1 6 0 0 0 9 27 1 0 0 0 0 10 28 1 6 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 6 0 0 0 18 40 1 0 0 0 0 M END > NP0013841 > NP-MRD > [H]O[C@@]1([H])[C@@]2([H])C([H])([H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[C@@]2([H])[C@]2(O[H])C(=C([H])C(=O)[C@]12C([H])([H])[H])C([H])([H])[H] > InChI=1S/C15H22O3/c1-8-5-11(16)14(4)12(17)9-6-13(2,3)7-10(9)15(8,14)18/h5,9-10,12,17-18H,6-7H2,1-4H3/t9-,10+,12-,14+,15+/m0/s1 > UGBJNLYKOBXVAD-BKNSQDEOSA-N > C15H22O3 > 250.338 > 250.156894568 > 3 > 40 > 27.453749705179664 > 1 > 2 > 0 > 1 > (1R,2S,6R,7S,8S)-2,7-dihydroxy-3,6,10,10-tetramethyltricyclo[6.3.0.0^{2,6}]undec-3-en-5-one > 1.45 > 1.7153240593333334 > -2.00 > 0 > 3 > 0 > 14.359908509949296 > 13.302832195038793 > -3.1492255370299578 > 57.53 > 69.09989999999999 > 0 > 1 > 2.51e+00 g/l > (1R,2S,6R,7S,8S)-2,7-dihydroxy-3,6,10,10-tetramethyltricyclo[6.3.0.0^{2,6}]undec-3-en-5-one > 0 > NP0013841 > Antrodin A $$$$