HMDB0033371 RDKit 3D Citronellyl formate 33 32 0 0 0 0 0 0 0 0999 V2000 -3.8238 -0.7363 -0.8946 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7507 0.0938 -0.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5451 1.4612 -0.8464 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0225 -0.3771 0.6795 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9337 0.3203 1.3666 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4260 -0.2887 1.3428 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0232 -0.4215 0.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1902 -1.3455 -0.8936 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 -0.9090 -0.0668 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5411 -0.2442 0.5454 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8991 1.0262 0.1512 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3294 2.2334 0.2402 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2352 2.3888 0.7861 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8078 -1.7814 -0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8481 -0.3487 -0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7381 -0.6943 -2.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7137 2.2196 -0.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5052 1.5702 -1.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2315 1.6890 -1.6651 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2510 -1.3943 1.0448 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8899 1.4184 1.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3118 0.4345 2.4408 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0552 0.3409 2.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4097 -1.3264 1.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8899 0.5839 -0.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4472 -0.8205 -1.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9005 -2.0284 -1.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4286 -1.9914 -0.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 -2.0189 0.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6397 -0.9917 -1.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4710 -0.8787 0.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5421 -0.2743 1.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8723 3.0912 -0.1926 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 1 0 11 12 1 0 12 13 2 0 1 14 1 0 1 15 1 0 1 16 1 0 3 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 6 23 1 0 6 24 1 0 7 25 1 0 8 26 1 0 8 27 1 0 8 28 1 0 9 29 1 0 9 30 1 0 10 31 1 0 10 32 1 0 12 33 1 0 M END