Mrv1652306202120443D 27 28 0 0 0 0 999 V2000 -2.4415 -0.2785 -0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9365 -1.4402 -0.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4060 -2.2984 0.9972 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2690 -3.1691 1.3369 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1386 -2.5445 0.7148 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3896 -1.4263 1.6564 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7309 -2.0080 2.9280 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0146 -3.3623 0.2008 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6413 -4.4536 0.9876 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5202 -3.9133 1.9610 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4013 -2.8661 -0.9972 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4814 -1.7492 -1.4619 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7255 -2.1423 -0.6371 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3239 0.1547 -0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9927 0.2670 -1.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2412 -2.9455 0.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6619 -1.7049 1.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2823 -0.9278 1.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3601 -0.6569 1.8631 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0568 -2.5254 3.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2266 -5.1150 0.3408 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8846 -5.0667 1.4868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0259 -3.2351 2.4657 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2524 -3.2153 -1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8871 -0.7624 -1.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2749 -1.8152 -2.5336 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1465 -3.0337 -1.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 13 12 1 0 0 0 0 12 11 1 0 0 0 0 11 8 2 0 0 0 0 8 5 1 0 0 0 0 5 13 1 0 0 0 0 2 1 2 3 0 0 0 13 27 1 6 0 0 0 4 3 1 0 0 0 0 8 9 1 0 0 0 0 3 2 1 0 0 0 0 9 10 1 0 0 0 0 2 13 1 0 0 0 0 5 4 1 0 0 0 0 6 7 1 0 0 0 0 5 6 1 1 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 11 24 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 20 1 0 0 0 0 M END > NP0035233 > NP-MRD > [H]OC([H])([H])C1=C([H])C([H])([H])[C@]2([H])C(=C([H])[H])C([H])([H])O[C@@]12C([H])([H])O[H] > InChI=1S/C10H14O3/c1-7-5-13-10(6-12)8(4-11)2-3-9(7)10/h2,9,11-12H,1,3-6H2/t9-,10+/m1/s1 > IBWYIXZIEIPGJL-ZJUUUORDSA-N > C10H14O3 > 182.219 > 182.094294311 > 3 > 27 > 19.161235387422586 > 1 > 2 > 0 > 0 > [(3aR,6aR)-6-(hydroxymethyl)-3-methylidene-2H,3H,3aH,4H,6aH-cyclopenta[b]furan-6a-yl]methanol > 0.07 > -0.5437853896666671 > -0.71 > 0 > 2 > 0 > 15.147281290161644 > 14.224235184863666 > -2.7653403681526783 > 49.69 > 49.538999999999994 > 2 > 1 > 3.59e+01 g/l > [(3aR,6aR)-6-(hydroxymethyl)-3-methylidene-2H,3aH,4H-cyclopenta[b]furan-6a-yl]methanol > 0 > NP0035233 > jatamanin K $$$$