HMDB0251346 RDKit 3D Dihydroxyphenyl-valerolactone 27 28 0 0 0 0 0 0 0 0999 V2000 -0.1105 2.2655 1.0561 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9231 1.4067 0.5726 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1329 1.8255 0.0848 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9935 0.8702 -0.4951 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2315 -0.2492 -1.1713 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2770 -0.9218 -0.2357 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0345 -1.8059 0.5637 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4569 -0.0005 0.5903 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5496 -0.4245 1.9340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9811 0.0155 0.2044 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4315 0.7838 -0.8742 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7603 0.7991 -1.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6985 0.0645 -0.5485 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2746 -0.6999 0.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9449 -0.7154 0.8762 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6141 0.3789 0.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6497 1.3529 -1.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0100 -1.0204 -1.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 0.0662 -2.1254 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6245 -1.5892 -0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3999 -1.2671 1.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4305 -1.4003 2.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 1.3474 -1.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0536 1.4076 -2.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7476 0.0943 -0.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0247 -1.2709 1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6253 -1.3130 1.7074 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 6 8 1 0 8 9 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 8 2 1 0 15 10 1 0 4 16 1 0 4 17 1 0 5 18 1 0 5 19 1 0 6 20 1 0 7 21 1 0 9 22 1 0 11 23 1 0 12 24 1 0 13 25 1 0 14 26 1 0 15 27 1 0 M END