HMDB0125151 RDKit 3D 2-[4-hydroxy-3-(sulfooxy)phenyl]acetic acid 24 24 0 0 0 0 0 0 0 0999 V2000 2.2078 -1.9818 0.2027 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9359 -1.2769 0.9692 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0242 -1.7911 1.6173 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5677 0.1510 1.1479 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3596 0.5098 0.3612 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4116 0.9751 -0.9303 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2791 1.3061 -1.6529 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9701 1.1764 -1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1249 1.5087 -1.8088 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0325 0.7100 0.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2991 0.5733 0.7992 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0835 -0.9232 0.6085 S 0 0 0 0 0 6 0 0 0 0 0 0 -2.6507 -1.9128 1.6497 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7369 -1.4812 -0.7464 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7315 -0.6585 0.6410 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1012 0.3798 0.9304 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0295 -2.7662 1.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4436 0.3341 2.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4566 0.7641 0.8344 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3973 1.0751 -1.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3524 1.6690 -2.6656 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0399 1.4165 -1.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9447 0.2277 0.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0476 0.0151 1.9446 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 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 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 5 1 0 3 17 1 0 4 18 1 0 4 19 1 0 6 20 1 0 7 21 1 0 9 22 1 0 15 23 1 0 16 24 1 0 M END