CDK 1029232200 21 22 0 0 0 0 0 0 0 0999 V2000 4.5684 3.0336 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.9040 2.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7244 2.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4190 1.6124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2094 2.8611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0601 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7546 0.8588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5751 0.7725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2697 0.1913 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 3.0367 0.9920 0.0000 N 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 2.2297 0.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0686 -1.1426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 0.0000 0.0000 C 0 0 0 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 1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -1.2375 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 0.7145 0.8250 0.0000 O 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 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 6 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 2 0 0 0 0 13 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 7 8 1 0 0 0 0 13 15 1 0 0 0 0 M END > CHEBI:202254 > Pachydermin > 2 > 2-[(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-4-hydroxy-2-oxopyrrol-3-yl]-2-oxoacetic acid > C13H8ClNO6 > 309.660 > 309.00401 > 0 > ClC1=C(O)C=CC(=C1)/C=C/2\NC(=O)C(=C2O)C(=O)C(=O)O > InChI=1S/C13H8ClNO6/c14-6-3-5(1-2-8(6)16)4-7-10(17)9(12(19)15-7)11(18)13(20)21/h1-4,16-17H,(H,15,19)(H,20,21)/b7-4- > XYHLQFZGLAWUCL-DAXSKMNVSA-N $$$$