CDK 1028232200 27 28 0 0 0 0 0 0 0 0999 V2000 1.4290 -0.4125 0.0000 Cl 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 2.1435 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 1.4290 1.2375 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 3.5724 0.0000 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 0.7145 0.8250 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 2.8579 2.0625 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 0.0000 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 2.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 2.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.2063 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 0.0000 2.0625 0.0000 C 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 3.5724 3.3001 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 -0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 2.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 3.3001 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 5 9 1 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 13 20 2 0 0 0 0 16 21 1 0 0 0 0 17 22 1 0 0 0 0 18 23 2 0 0 0 0 19 24 2 0 0 0 0 19 25 1 0 0 0 0 23 26 1 0 0 0 0 25 27 1 0 0 0 0 7 10 1 0 0 0 0 20 23 1 0 0 0 0 M END > CHEBI:197652 > Penicillither > 2 > methyl 3-chloro-6-hydroxy-2-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate > C18H17ClO8 > 396.780 > 396.06120 > 0 > ClC1=C(OC2=C(OC)C=C(O)C=C2C(=O)OC)C(=C(O)C=C1C)C(=O)OC > InChI=1S/C18H17ClO8/c1-8-5-11(21)13(18(23)26-4)16(14(8)19)27-15-10(17(22)25-3)6-9(20)7-12(15)24-2/h5-7,20-21H,1-4H3 > DLXJKSNQVHUUOT-UHFFFAOYSA-N $$$$