CDK 1030232200 22 24 0 0 0 0 0 0 0 0999 V2000 3.3193 -2.5562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5029 -1.7519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3073 -1.5683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6652 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3073 -0.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4879 -0.8866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5029 0.1019 0.0000 O 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 1.4290 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7720 0.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9527 -0.2050 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 0.7145 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5947 0.5383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4140 1.3433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7754 -0.2666 0.0000 O 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 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 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 2 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 9 15 2 0 0 0 0 11 16 2 0 0 0 0 12 17 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 21 22 1 0 0 0 0 8 10 1 0 0 0 0 12 16 1 0 0 0 0 15 18 1 0 0 0 0 M END > CHEBI:205891 > Corynesidone E > 2 > 3,8-dihydroxy-9-methoxy-1,7-dimethylbenzo[b][1,4]benzodioxepin-6-one > C16H14O6 > 302.282 > 302.07904 > 0 > O=C1OC2=C(C(=CC(=C2)O)C)OC3=C1C(=C(O)C(=C3)OC)C > InChI=1S/C16H14O6/c1-7-4-9(17)5-12-15(7)21-10-6-11(20-3)14(18)8(2)13(10)16(19)22-12/h4-6,17-18H,1-3H3 > OUUSTHJPEIILJV-UHFFFAOYSA-N $$$$