HMDB0240567 RDKit 3D Urolithin a 3-sulfate 29 31 0 0 0 0 0 0 0 0999 V2000 -2.7514 2.2377 1.4876 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9369 1.4557 0.9370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6751 1.8102 0.9194 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2455 1.0509 0.3635 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5641 1.4515 0.3612 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5502 0.6741 -0.2151 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8671 1.1153 -0.1954 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9686 0.7762 1.0219 S 0 0 0 0 0 6 0 0 0 0 0 0 4.4634 -0.2201 2.0221 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2362 0.2452 0.3711 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4334 2.1736 1.8558 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1553 -0.4998 -0.7766 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8397 -0.9648 -0.8091 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1173 -0.1660 -0.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4433 -0.5713 -0.2252 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8829 -1.7508 -0.7824 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2282 -2.1264 -0.7625 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1312 -1.2816 -0.1638 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4846 -1.6392 -0.1329 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7062 -0.0958 0.3991 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3763 0.2703 0.3766 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8810 2.3943 0.8122 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1885 2.9638 1.3135 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8976 -1.1363 -1.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6152 -1.9094 -1.2762 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1609 -2.4042 -1.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5022 -3.0674 -1.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0907 -1.3475 -0.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4187 0.5618 0.8667 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 2 0 8 11 1 0 6 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 2 0 21 2 1 0 14 4 1 0 21 15 1 0 5 22 1 0 11 23 1 0 12 24 1 0 13 25 1 0 16 26 1 0 17 27 1 0 19 28 1 0 20 29 1 0 M END