HMDB0240450 RDKit 3D 3,5-Dihydroxyphenylvaleric acid 29 29 0 0 0 0 0 0 0 0999 V2000 -4.0554 -1.5212 -0.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8507 -0.3314 -0.7042 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8141 0.6679 -0.4836 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6050 0.0547 -1.3701 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5276 0.3582 -0.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2555 -0.8526 0.4838 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1738 -0.5893 1.5097 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1050 -0.2074 0.8787 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4183 1.1044 0.6122 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6189 1.4776 0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9268 2.8059 -0.2462 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5409 0.5272 -0.3224 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2497 -0.7899 -0.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1764 -1.7505 -0.4089 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0585 -1.1530 0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7920 1.0547 0.4732 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2669 -0.7745 -2.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8144 0.9078 -2.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6011 0.6785 -0.8982 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8613 1.2305 0.2526 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9903 -1.6883 -0.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2037 -1.1153 0.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5263 0.1763 2.2387 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0619 -1.5340 2.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 1.8765 0.8719 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2488 3.5253 0.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4937 0.8020 -0.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0400 -2.7461 -0.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 -2.1942 0.7300 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 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 2 0 12 13 1 0 13 14 1 0 13 15 2 0 15 8 1 0 3 16 1 0 4 17 1 0 4 18 1 0 5 19 1 0 5 20 1 0 6 21 1 0 6 22 1 0 7 23 1 0 7 24 1 0 9 25 1 0 11 26 1 0 12 27 1 0 14 28 1 0 15 29 1 0 M END