Mrv1652306242117493D 27 27 0 0 0 0 999 V2000 -3.5833 0.9437 -1.1016 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9004 1.3218 0.1910 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5013 0.0445 0.9114 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5563 -0.6944 -0.0271 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3636 0.1003 -0.3374 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7041 -0.6068 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0850 -0.1244 -0.1686 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1370 -0.8303 0.1685 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5236 -0.2775 -0.0311 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4475 0.9785 -0.5786 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2778 -1.8739 0.5382 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9957 -2.8325 0.9752 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1007 -1.8874 0.5038 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3224 1.7384 -1.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1679 0.0253 -0.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8628 0.7600 -1.9204 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0194 1.9605 -0.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6249 1.8697 0.8252 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4314 -0.5341 1.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9469 0.2583 1.8444 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0896 -0.8945 -1.0108 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3252 1.1170 -0.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 0.8598 -0.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9864 -1.8109 0.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1073 -0.9235 -0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 -0.2370 0.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1992 1.5495 -0.2236 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 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 6 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 4 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 17 1 0 0 0 0 2 18 1 0 0 0 0 3 19 1 0 0 0 0 3 20 1 0 0 0 0 4 21 1 6 0 0 0 5 22 1 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 M END > NP0003703 > NP-MRD > [H]OC([H])([H])C(\[H])=C(/[H])C1=C([H])[C@@]([H])(OC1=O)C([H])([H])C([H])([H])C([H])([H])[H] > InChI=1S/C10H14O3/c1-2-4-9-7-8(5-3-6-11)10(12)13-9/h3,5,7,9,11H,2,4,6H2,1H3/b5-3+/t9-/m0/s1 > WWJYPRXNKYXREE-HWKANZROSA-N > C10H14O3 > 182.219 > 182.094294311 > 2 > 27 > 19.956436154985493 > 1 > 1 > 0 > 1 > (5S)-3-[(1E)-3-hydroxyprop-1-en-1-yl]-5-propyl-2,5-dihydrofuran-2-one > 1.50 > 1.5622766793333331 > -1.43 > 0 > 1 > 0 > 16.187534505221368 > 13.862615391454263 > -2.2802990786270927 > 46.53 > 51.24160000000001 > 4 > 1 > 6.72e+00 g/l > (5S)-3-[(1E)-3-hydroxyprop-1-en-1-yl]-5-propyl-5H-furan-2-one > 0 > NP0003703 > Bombardolide D $$$$