CDK 1028232202 20 22 0 0 0 0 0 0 0 0999 V2000 0.7145 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 -1.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8579 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1435 -2.4751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4290 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8579 -2.8876 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4290 -2.8876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -2.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -3.7126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 -4.1251 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1435 -4.9501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 3 2 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 3 1 0 0 0 0 3 7 1 1 0 0 0 4 8 1 0 0 0 0 4 9 1 1 0 0 0 5 10 1 6 0 0 0 11 5 1 0 0 0 0 12 6 1 0 0 0 0 6 13 1 1 0 0 0 9 14 1 0 0 0 0 10 15 2 0 0 0 0 11 16 1 1 0 0 0 12 17 1 6 0 0 0 13 18 1 0 0 0 0 19 17 1 0 0 0 0 19 20 1 6 0 0 0 8 11 1 0 0 0 0 12 15 1 0 0 0 0 18 19 1 0 0 0 0 M END > CHEBI:199539 > 2-deoxy-4alpha-hydroxyoblongolide X > 2 > (2R,4R,4aR,6aS,8R,10aR,10bS)-4-hydroxy-2-(hydroxymethyl)-8,10b-dimethyl-4,4a,6a,7,8,9,10,10a-octahydrobenzo[]isochromen-1-one > C16H24O4 > 280.364 > 280.16746 > 0 > O=C1[C@@]2([C@@H](C=C[C@H]3[C@H]2CC[C@H](C3)C)[C@H](O)O[C@@H]1CO)C > InChI=1S/C16H24O4/c1-9-3-5-11-10(7-9)4-6-12-15(19)20-13(8-17)14(18)16(11,12)2/h4,6,9-13,15,17,19H,3,5,7-8H2,1-2H3/t9-,10-,11-,12+,13-,15-,16+/m1/s1 > QMIGWDIULBNXKA-UAJJHBLQSA-N $$$$