HMDB0035837 RDKit 3D Citronellic acid 30 29 0 0 0 0 0 0 0 0999 V2000 -3.2065 1.2064 0.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7091 -0.1560 0.4173 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5900 -1.0489 1.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5206 -0.5755 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6687 0.3285 -0.7813 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6575 0.6131 -0.1126 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4719 -0.6337 0.1164 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7926 -1.3508 -1.1728 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7846 -0.2162 0.7412 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4718 0.7044 -0.2004 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1640 0.3047 -1.1704 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3628 2.0776 -0.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2353 1.3580 0.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5320 2.0021 0.4867 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2165 1.3525 -1.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9937 -1.8628 1.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2171 -0.4964 1.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2780 -1.5807 0.5023 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1692 -1.5726 0.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4477 -0.0844 -1.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1846 1.3015 -0.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2337 1.3033 -0.7335 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4261 1.1071 0.8525 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9432 -1.3665 0.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9381 -1.9534 -1.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1583 -0.6253 -1.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6545 -2.0410 -0.9438 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6281 0.2951 1.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4104 -1.1322 0.8453 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8715 2.7423 -0.5606 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 1 13 1 0 1 14 1 0 1 15 1 0 3 16 1 0 3 17 1 0 3 18 1 0 4 19 1 0 5 20 1 0 5 21 1 0 6 22 1 0 6 23 1 0 7 24 1 0 8 25 1 0 8 26 1 0 8 27 1 0 9 28 1 0 9 29 1 0 12 30 1 0 M END