HMDB0059993 RDKit 3D 5-(Hydroxyphenyl)-gamma-valerolactone-O-sulphate 30 31 0 0 0 0 0 0 0 0999 V2000 -4.8936 1.1940 1.6058 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8177 0.7401 1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0671 1.4499 0.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6877 0.8158 0.2095 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0578 -0.6006 0.5691 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9547 -1.3092 1.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2918 -1.3941 0.5346 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5755 -2.4514 -0.3092 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7550 -2.4575 -0.9972 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6721 -1.4331 -0.8711 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3978 -0.3732 -0.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3603 0.6222 0.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3001 1.9489 -1.0185 S 0 0 0 0 0 6 0 0 0 0 0 0 4.1774 3.0520 -0.5610 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7736 1.4812 -2.3642 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6936 2.4245 -1.1597 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2087 -0.3618 0.6659 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1263 -0.4135 1.4795 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0555 2.5286 0.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5515 1.1416 -0.9007 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0685 0.9042 -0.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2297 1.2963 1.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4221 -1.1585 -0.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2987 -2.3439 1.5168 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7838 -0.7692 2.2625 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1651 -3.2349 -0.3828 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9592 -3.2908 -1.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5794 -1.5038 -1.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4198 3.0185 -0.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0153 0.4777 1.3173 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 1 0 13 14 2 0 13 15 2 0 13 16 1 0 11 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 10 28 1 0 16 29 1 0 17 30 1 0 M END