Mrv1652306242117273D 38 41 0 0 0 0 999 V2000 3.6339 1.0865 1.2523 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2985 1.1565 0.8322 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8661 0.6792 -0.4121 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6353 0.5644 -1.4796 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8530 0.0371 -2.5865 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2914 -0.1964 -3.7670 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5842 -0.1479 -2.1001 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5323 0.2293 -0.7700 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4714 1.1848 -0.5709 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6811 0.4988 -0.5609 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4964 0.7602 -1.6275 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3382 0.8341 0.7876 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0149 2.2020 1.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7214 -0.2651 1.6287 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1992 -0.2502 1.5010 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0321 -0.8746 0.1422 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8283 -2.1049 0.1396 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3846 -0.9709 -0.3496 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6412 -1.8337 -1.5032 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0361 -1.3647 0.8239 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3230 1.6423 0.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6782 1.5117 2.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0231 0.0376 1.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6962 0.8354 -1.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1892 0.0623 -1.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3989 0.6111 0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8613 2.2787 2.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9075 2.8580 1.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1752 2.6940 0.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0807 -0.3232 2.6443 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2126 -0.9185 2.2605 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1557 0.7973 1.5754 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7672 -2.6316 -0.8081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9151 -1.8187 0.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6031 -2.7207 1.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4124 -1.3027 -2.4443 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1709 -2.8049 -1.3935 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7488 -2.0327 -1.5411 H 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 3 4 2 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 8 7 1 6 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 6 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 1 0 0 0 16 18 1 0 0 0 0 18 19 1 6 0 0 0 18 20 1 0 0 0 0 8 3 1 0 0 0 0 18 10 1 0 0 0 0 16 8 1 0 0 0 0 20 14 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 4 24 1 0 0 0 0 11 25 1 0 0 0 0 12 26 1 6 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 1 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 M END > NP0016247 > NP-MRD > [H]O[C@]12O[C@]3(OC(=O)C([H])=C3OC([H])([H])[H])[C@@]3(C([H])([H])[H])C([H])([H])[C@]([H])(O[C@@]13C([H])([H])[H])[C@@]2([H])C([H])([H])[H] > InChI=1S/C14H18O6/c1-7-8-6-11(2)12(3,18-8)13(7,16)20-14(11)9(17-4)5-10(15)19-14/h5,7-8,16H,6H2,1-4H3/t7-,8+,11+,12-,13-,14+/m1/s1 > NELMFCIXSYFKGN-NZXXFSKESA-N > C14H18O6 > 282.292 > 282.1103383 > 5 > 38 > 27.374688335613868 > 1 > 1 > 0 > 1 > (1'S,2S,3'S,6'R,7'R,9'R)-6'-hydroxy-3-methoxy-3',7',9'-trimethyl-5H-5',8'-dioxaspiro[furan-2,4'-tricyclo[4.2.1.0^{3,7}]nonane]-5-one > 0.78 > 1.5745310403333324 > -1.80 > 0 > 4 > 0 > 10.663523056556002 > -4.022164166729702 > 74.22000000000001 > 66.9693 > 1 > 1 > 4.48e+00 g/l > (1'S,2S,3'S,6'R,7'R,9'R)-6'-hydroxy-3-methoxy-3',7',9'-trimethyl-5',8'-dioxaspiro[furan-2,4'-tricyclo[4.2.1.0^{3,7}]nonane]-5-one > 0 > NP0016247 > Aspersclerotiorone C $$$$