CDK 1030232200 25 27 0 0 0 0 0 0 0 0999 V2000 0.0584 4.1446 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.4164 3.4014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0484 2.7197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 3.3397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8711 2.7814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3096 1.9764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 2.5964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7038 4.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1323 1.9148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4197 2.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3754 1.1264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7211 3.4260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9808 2.0533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8250 0.0000 C 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 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.8250 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 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 1.2375 0.0000 C 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 1.4290 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 4 7 2 0 0 0 0 4 8 1 0 0 0 0 6 9 2 0 0 0 0 7 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 19 2 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 22 2 0 0 0 0 18 23 1 0 0 0 0 20 24 1 0 0 0 0 22 25 1 0 0 0 0 7 9 1 0 0 0 0 14 15 2 0 0 0 0 19 20 1 0 0 0 0 M END > CHEBI:206865 > 2-Chlorounguinol > 2 > 1-[(Z)-but-2-en-2-yl]-8-chloro-3,9-dihydroxy-4,7-dimethylbenzo[b][1,4]benzodioxepin-6-one > C19H17ClO5 > 360.790 > 360.07645 > 0 > ClC1=C(O)C=C2OC=3C(/C(=C\C)/C)=CC(=C(C3OC(C2=C1C)=O)C)O > InChI=1S/C19H17ClO5/c1-5-8(2)11-6-12(21)9(3)17-18(11)24-14-7-13(22)16(20)10(4)15(14)19(23)25-17/h5-7,21-22H,1-4H3/b8-5- > KZPINWADEGOBQG-YVMONPNESA-N $$$$