HMDB0240700 RDKit 3D 5-(4'-Hydroxyphenyl)-γ-valerolactone 4'-sulfate 30 31 0 0 0 0 0 0 0 0999 V2000 -3.1209 -1.3917 2.7904 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2462 -0.5731 1.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4329 -0.4120 1.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8897 0.2846 -0.2209 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4436 0.6029 0.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5610 -0.3394 -0.7444 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1228 -0.0691 -0.5063 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6177 0.8187 -1.2597 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9730 1.0328 -0.9878 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5873 0.3538 0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9363 0.5386 0.3473 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1777 -0.3744 -0.3355 S 0 0 0 0 0 6 0 0 0 0 0 0 5.0480 -0.4988 -1.8269 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2592 -1.7641 0.2209 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6447 0.3856 0.0616 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8327 -0.5405 0.7991 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4952 -0.7478 0.5261 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2589 0.3351 1.4552 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8570 -1.3838 0.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2124 0.1827 1.5165 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4984 1.2038 -0.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9989 -0.3197 -1.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2017 1.6603 -0.1078 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8426 -1.3654 -0.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8378 -0.2472 -1.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1411 1.3457 -2.0601 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5267 1.7389 -1.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9990 0.8906 -0.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3171 -1.0791 1.6161 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0309 -1.4625 1.1597 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 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 2 0 12 15 1 0 10 16 1 0 16 17 2 0 5 18 1 0 18 2 1 0 17 7 1 0 3 19 1 0 3 20 1 0 4 21 1 0 4 22 1 0 5 23 1 0 6 24 1 0 6 25 1 0 8 26 1 0 9 27 1 0 15 28 1 0 16 29 1 0 17 30 1 0 M END