KEGG:C13016 Carumonam sodium ISISHOST12220422382D 1 1.00000 0.00000 16096 32 31 0 1 0 999 V2000 5.4165 -0.9645 0.0000 C 0 0 1 0 0 0 0 0 0 6.1648 -0.9645 0.0000 C 0 0 2 0 0 0 0 0 0 5.4165 -1.7163 0.0000 C 0 0 0 0 0 0 0 0 0 4.8855 -0.4370 0.0000 N 0 0 0 0 0 0 0 0 0 6.1648 -1.7163 0.0000 N 0 0 3 0 0 0 0 0 0 6.6993 -0.4370 0.0000 C 0 0 0 0 0 0 0 0 0 4.8855 -2.2439 0.0000 O 0 0 0 0 0 0 0 0 0 4.1648 -0.6301 0.0000 C 0 0 0 0 0 0 0 0 0 6.6993 -2.2439 0.0000 S 0 0 3 0 0 0 0 0 0 3.6303 -0.0956 0.0000 C 0 0 0 0 0 0 0 0 0 3.9717 -1.3542 0.0000 O 0 0 0 0 0 0 0 0 0 7.3889 -1.5680 0.0000 O 0 0 0 0 0 0 0 0 0 7.3510 -2.8956 0.0000 O 0 0 0 0 0 0 0 0 0 5.8717 -3.1232 0.0000 O 0 5 0 0 0 0 0 0 0 2.9096 -0.2956 0.0000 C 0 0 0 0 0 0 0 0 0 3.8303 0.6251 0.0000 N 0 0 0 0 0 0 0 0 0 2.6751 -1.0025 0.0000 C 0 0 0 0 0 0 0 0 0 2.3027 0.1492 0.0000 N 0 0 0 0 0 0 0 0 0 1.9234 -1.0025 0.0000 S 0 0 0 0 0 0 0 0 0 1.6924 -0.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0.9786 -0.0576 0.0000 N 0 0 0 0 0 0 0 0 0 6.5098 0.2897 0.0000 O 0 0 0 0 0 0 0 0 0 7.0443 0.8172 0.0000 C 0 0 0 0 0 0 0 0 0 7.7683 0.6180 0.0000 O 0 0 0 0 0 0 0 0 0 6.8547 1.5438 0.0000 N 0 0 0 0 0 0 0 0 0 4.5545 0.8123 0.0000 O 0 0 0 0 0 0 0 0 0 4.7545 1.5330 0.0000 C 0 0 0 0 0 0 0 0 0 5.4786 1.7201 0.0000 C 0 0 0 0 0 0 0 0 0 5.6786 2.4408 0.0000 O 0 5 0 0 0 0 0 0 0 6.0028 1.1866 0.0000 O 0 0 0 0 0 0 0 0 0 4.3708 2.5167 0.0000 Na 0 3 0 0 0 0 0 0 0 4.7042 -3.0667 0.0000 Na 0 3 0 0 0 0 0 0 0 8 10 1 0 0 0 8 11 2 0 0 0 9 12 2 0 0 0 9 13 2 0 0 0 9 14 1 0 0 0 10 15 1 0 0 0 10 16 2 0 0 0 15 17 2 0 0 0 15 18 1 0 0 0 17 19 1 0 0 0 18 20 2 0 0 0 20 21 1 0 0 0 3 5 1 0 0 0 19 20 1 0 0 0 6 22 1 0 0 0 22 23 1 0 0 0 23 24 2 0 0 0 1 2 1 0 0 0 23 25 1 0 0 0 1 3 1 0 0 0 16 26 1 0 0 0 1 4 1 1 0 0 26 27 1 0 0 0 2 5 1 0 0 0 27 28 1 0 0 0 2 6 1 1 0 0 28 29 1 0 0 0 3 7 2 0 0 0 28 30 2 0 0 0 4 8 1 0 0 0 5 9 1 0 0 0 M CHG 4 14 -1 29 -1 31 1 32 1 M END