HMDB0124975 RDKit 3D (2E)-3-[3-(sulfooxy)phenyl]prop-2-enoic acid 24 24 0 0 0 0 0 0 0 0999 V2000 5.4515 0.0026 -0.3839 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4248 -0.4886 0.1296 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5520 -1.3625 1.1609 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1175 -0.0845 -0.4228 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9937 -0.5574 0.0634 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6777 -0.2062 -0.4275 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4439 0.6669 -1.4643 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8459 0.9762 -1.9045 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9262 0.3983 -1.2927 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7341 -0.4773 -0.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8431 -1.0648 0.3659 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5972 -0.3222 1.7056 S 0 0 0 0 0 6 0 0 0 0 0 0 -3.8991 -1.4399 2.6882 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6809 0.7011 2.3409 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0040 0.4697 1.2556 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4639 -0.7717 0.1661 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3772 -1.6911 1.5899 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0580 0.6148 -1.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0704 -1.2539 0.8839 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2909 1.1231 -1.9476 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9314 1.6725 -2.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9430 0.6276 -1.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3114 0.2457 0.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2773 -1.4587 0.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 2 0 12 15 1 0 10 16 2 0 16 6 1 0 3 17 1 0 4 18 1 0 5 19 1 0 7 20 1 0 8 21 1 0 9 22 1 0 15 23 1 0 16 24 1 0 M END