HMDB0125171 RDKit 3D 3-[4-(sulfooxy)phenyl]propanoic acid 26 26 0 0 0 0 0 0 0 0999 V2000 3.0449 1.3408 -0.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5279 0.1900 -0.5152 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6102 -0.0371 -1.4042 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0903 -0.9164 0.3507 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9471 -0.6134 1.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 -0.2242 0.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 -1.2332 0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3638 -0.9130 -0.4721 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8051 0.3797 -0.6309 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0044 0.7144 -1.2184 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4184 0.8603 -0.2771 S 0 0 0 0 0 6 0 0 0 0 0 0 -5.5831 1.1039 -1.1851 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3077 2.0586 0.6451 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6209 -0.5083 0.6554 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9828 1.3824 -0.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2331 1.0652 0.4291 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2809 0.6982 -1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9216 -1.8497 -0.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9825 -1.1987 0.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2444 0.1787 1.9894 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6992 -1.5004 1.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1609 -2.2640 0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0344 -1.6974 -0.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6728 -1.3003 0.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3121 2.4067 -0.2831 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8396 1.8773 0.7955 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 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 2 0 11 14 1 0 9 15 1 0 15 16 2 0 16 6 1 0 3 17 1 0 4 18 1 0 4 19 1 0 5 20 1 0 5 21 1 0 7 22 1 0 8 23 1 0 14 24 1 0 15 25 1 0 16 26 1 0 M END