HMDB0029233 RDKit 3D 3,4-Dihydroxyphenylvaleric acid 29 29 0 0 0 0 0 0 0 0999 V2000 5.1707 0.7440 -1.8071 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5148 0.2334 -0.8705 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1804 -0.5223 0.0673 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0606 0.4210 -0.7502 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5323 -0.3035 0.4681 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0583 -0.1197 0.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2364 -0.6182 -0.5364 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1964 -0.3490 -0.2151 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9136 -1.3124 0.4627 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2534 -1.1335 0.7975 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8321 0.0650 0.4141 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1652 0.3195 0.7112 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1416 1.0466 -0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7340 2.2520 -0.6463 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8187 0.8298 -0.5755 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5346 -0.0701 0.8985 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9008 1.5162 -0.5396 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5204 0.1146 -1.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0016 0.2054 1.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8525 -1.3645 0.4821 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8812 0.9922 0.7047 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6639 -0.5441 1.5491 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5164 -0.1612 -1.5139 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3448 -1.7180 -0.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4713 -2.2557 0.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7843 -1.8924 1.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7102 -0.3730 1.2076 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7058 2.4404 -0.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2432 1.5573 -1.0980 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 2 0 11 12 1 0 11 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 10 26 1 0 12 27 1 0 14 28 1 0 15 29 1 0 M END