Mrv1652306242120373D 30 31 0 0 0 0 999 V2000 -0.6382 -1.8948 -0.9933 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5686 -0.4243 -0.8310 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7287 0.2225 -0.8028 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3640 1.6286 -0.2945 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7447 1.3746 0.7145 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4110 0.1011 0.3189 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8446 0.4150 -0.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5412 -0.8215 1.3458 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5254 2.1491 0.2902 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4832 1.1575 0.3584 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6825 1.3699 0.6702 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8363 -0.1653 0.0021 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7144 -0.9161 1.2513 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8140 -0.8131 -0.7936 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -2.1968 -1.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6870 -2.1435 -1.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5129 -2.4855 -0.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 -0.0203 -1.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0859 0.4145 -1.8619 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0068 2.2478 -1.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3995 1.4204 1.7537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4494 2.2502 0.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1573 -0.4311 -0.7615 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4295 0.5389 0.7823 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7894 1.3537 -0.7361 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4398 -0.8445 1.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4925 -2.0129 1.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7494 -0.9310 1.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0871 -0.4400 2.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1432 -0.1032 -1.4115 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 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 6 8 1 1 0 0 0 4 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 6 0 0 0 6 2 1 0 0 0 0 12 3 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 18 1 6 0 0 0 3 19 1 6 0 0 0 4 20 1 6 0 0 0 5 21 1 0 0 0 0 5 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 0 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 0 0 0 0 M END > NP0020628 > NP-MRD > [H]O[C@]1(C(=O)O[C@]2([H])C([H])([H])[C@@](O[H])(C([H])([H])[H])[C@]([H])(C([H])([H])[H])[C@]12[H])C([H])([H])[H] > InChI=1S/C10H16O4/c1-5-7-6(4-9(5,2)12)14-8(11)10(7,3)13/h5-7,12-13H,4H2,1-3H3/t5-,6-,7+,9+,10-/m1/s1 > ORCDXOHZCRZPRS-FOWOUKQUSA-N > C10H16O4 > 200.234 > 200.104858995 > 3 > 30 > 20.13042276213561 > 1 > 2 > 0 > 1 > (3R,3aS,4R,5S,6aR)-3,5-dihydroxy-3,4,5-trimethyl-hexahydro-2H-cyclopenta[b]furan-2-one > 0.20 > -0.22081069699999972 > -0.37 > 0 > 2 > 0 > 14.702061211263015 > 12.275884582654284 > -2.9326444056437584 > 66.76 > 48.7627 > 0 > 1 > 8.64e+01 g/l > (3R,3aS,4R,5S,6aR)-3,5-dihydroxy-3,4,5-trimethyl-tetrahydrocyclopenta[b]furan-2-one > 0 > NP0020628 > Pestalotiolactones C $$$$