CDK 1029232203 18 19 0 0 0 0 0 0 0 0999 V2000 4.2696 0.1913 0.0000 O 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 3.0367 0.9920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8971 -0.3355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2296 0.8205 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 2.1434 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6166 1.3726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4555 -1.6946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8532 -1.3975 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 2.6270 -2.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0248 -2.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4117 -2.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5832 -3.5634 0.0000 O 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 4 2 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 6 0 0 0 7 4 1 0 0 0 0 5 8 2 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 11 1 6 0 0 0 9 12 1 0 0 0 0 10 13 2 0 0 0 0 11 14 1 0 0 0 0 12 15 2 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 5 7 1 0 0 0 0 13 15 1 0 0 0 0 M END > CHEBI:204622 > Cis-3-(4-hydroxyphenyl)-4-isobutyldihydrofuran-2,5-dione > 2 > (3S,4S)-3-(4-hydroxyphenyl)-4-(2-methylpropyl)oxolane-2,5-dione > C14H16O4 > 248.278 > 248.10486 > 0 > O=C1OC(=O)[C@H]([C@H]1C2=CC=C(O)C=C2)CC(C)C > InChI=1S/C14H16O4/c1-8(2)7-11-12(14(17)18-13(11)16)9-3-5-10(15)6-4-9/h3-6,8,11-12,15H,7H2,1-2H3/t11-,12+/m0/s1 > KZLFRVFXQHOHPP-NWDGAFQWSA-N $$$$