HMDB0015538 RDKit 3D Tiaprofenic acid 30 31 0 0 0 0 0 0 0 0999 V2000 4.1791 -1.7750 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6595 -0.4689 0.6603 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4371 0.6958 0.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3517 0.5114 -0.6554 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1581 1.9771 0.5798 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2069 -0.3410 0.3256 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4214 0.7686 0.3928 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1323 0.6444 0.0395 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3064 -0.5845 -0.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6290 -1.0359 -0.8089 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7328 -2.0020 -1.6077 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8195 -0.3778 -0.3394 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8523 0.3019 0.8419 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0075 0.9548 1.2764 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1202 0.8958 0.4776 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0792 0.2049 -0.7185 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9498 -0.4433 -1.1596 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1383 -1.5433 -0.2265 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5441 -2.5792 0.5586 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2083 -1.9409 0.5342 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2647 -1.8187 -0.9694 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7669 -0.4784 1.7719 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7264 2.7685 0.4181 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8521 1.7339 0.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5943 1.4931 0.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0089 0.3678 1.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0407 1.5017 2.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0471 1.3882 0.7716 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9711 0.1713 -1.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8880 -0.9904 -2.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 2 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 9 18 1 0 18 6 1 0 17 12 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 5 23 1 0 7 24 1 0 8 25 1 0 13 26 1 0 14 27 1 0 15 28 1 0 16 29 1 0 17 30 1 0 M END