HMDB0031846 RDKit 3D Geranylacetone 36 35 0 0 0 0 0 0 0 0999 V2000 -3.5510 2.3777 -0.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1413 1.0600 -0.4569 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2237 0.9974 -1.0162 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4965 -0.2348 -0.1119 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1588 -0.0226 0.5782 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6236 -1.3659 0.8669 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4878 -1.8587 0.4194 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1179 -3.2566 0.8297 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3933 -1.0704 -0.4519 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7267 -0.9561 0.3067 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7163 -0.1747 -0.4716 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2833 0.9358 -0.0741 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2532 1.6082 -0.9558 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9490 1.5029 1.2464 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7682 2.6778 -0.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3392 3.1584 -0.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1507 2.4358 0.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3459 -0.8494 -1.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2097 -0.7937 0.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5691 0.6421 -0.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3732 0.4847 1.5518 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2512 -1.9979 1.5208 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8952 -3.9835 0.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8339 -3.5752 0.4013 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0849 -3.3240 1.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6693 -1.6412 -1.3769 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0962 -0.0572 -0.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5486 -0.5226 1.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1610 -1.9715 0.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9670 -0.5845 -1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9922 1.5435 -2.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2578 1.1370 -0.7496 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3862 2.6849 -0.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4107 0.9130 2.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8394 1.5403 1.4228 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3037 2.5405 1.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 3 12 13 1 0 12 14 1 0 1 15 1 0 1 16 1 0 1 17 1 0 4 18 1 0 4 19 1 0 5 20 1 0 5 21 1 0 6 22 1 0 8 23 1 0 8 24 1 0 8 25 1 0 9 26 1 0 9 27 1 0 10 28 1 0 10 29 1 0 11 30 1 0 13 31 1 0 13 32 1 0 13 33 1 0 14 34 1 0 14 35 1 0 14 36 1 0 M END