HMDB0246385 RDKit 3D 4-Chloro-3-ethoxy-7-guanidinoisocoumarin 31 32 0 0 0 0 0 0 0 0999 V2000 4.9526 0.6091 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9599 -0.8480 -0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9101 -1.6221 0.1462 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5610 -1.3324 -0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9236 -1.8044 -1.0592 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6534 -1.5786 -1.2627 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0894 -2.0667 -2.2940 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1074 -0.8233 -0.3859 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4441 -0.6263 -0.6108 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2058 0.1164 0.3293 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4733 0.4393 0.0937 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5600 0.8266 -0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6378 -0.0949 -0.3940 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9981 2.2250 -0.0289 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5102 0.6020 1.4384 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 0.4085 1.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5554 -0.3156 0.7388 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8941 -0.5650 0.9301 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7509 0.0758 2.3419 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.6615 1.1424 -0.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3634 0.7430 0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9632 1.0896 -0.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9772 -0.9182 -1.5294 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9020 -1.3439 -0.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9610 -0.9926 -1.4621 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9656 -0.1617 -1.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0376 -0.6434 0.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4702 2.6928 -0.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8447 2.7828 0.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0922 1.1782 2.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 0.8058 2.5521 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 3 12 13 1 0 12 14 1 0 10 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 18 4 2 0 17 8 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 2 24 1 0 9 25 1 0 13 26 1 0 13 27 1 0 14 28 1 0 14 29 1 0 15 30 1 0 16 31 1 0 M END