CDK 1030232201 18 19 0 0 0 0 0 0 0 0999 V2000 1.6166 1.3726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2297 0.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0367 0.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8971 -0.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4492 0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0686 -1.1425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7536 -0.0770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0862 -1.2330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3057 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8932 -1.4045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5268 -1.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2288 -2.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0492 -2.2444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7438 -2.8256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 10 9 1 1 0 0 0 10 11 1 0 0 0 0 12 10 1 0 0 0 0 11 13 1 0 0 0 0 14 12 1 0 0 0 0 12 15 1 6 0 0 0 14 16 1 6 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 5 7 1 0 0 0 0 13 14 1 0 0 0 0 M END > CHEBI:215252 > Aspereusin B > 2 > 2-[[(2S,3R,4S)-4-acetyl-3-methyloxolan-2-yl]oxymethyl]-3-methylcyclopent-2-en-1-one > C14H20O4 > 252.310 > 252.13616 > 0 > O=C1C(=C(C)CC1)CO[C@@H]2OC[C@H]([C@H]2C)C(=O)C > InChI=1S/C14H20O4/c1-8-4-5-13(16)11(8)6-17-14-9(2)12(7-18-14)10(3)15/h9,12,14H,4-7H2,1-3H3/t9-,12-,14-/m1/s1 > UQYFJJRVYCPYQI-GAJTVXKRSA-N $$$$