HMDB0112091 RDKit 3D 5-Heptyl-3,4-dimethyl-2-furanheptanoic acid 57 57 0 0 0 0 0 0 0 0999 V2000 -5.9012 2.8396 1.7196 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3039 2.3312 0.4029 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1179 0.8397 0.5863 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5338 0.1702 -0.6339 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1814 0.7322 -0.9792 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5636 0.0914 -2.1529 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2047 -1.3365 -2.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 -1.6888 -1.1186 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1466 -1.7791 -1.4285 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8575 -2.0908 -0.3931 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3345 -2.2841 -0.3278 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0076 -1.0849 0.3146 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4805 -1.4097 0.3157 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3090 -0.3398 0.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1409 0.9453 0.1667 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0093 2.0247 0.7947 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8328 3.2623 0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0636 3.3008 -0.9455 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5169 4.4144 0.3990 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.2206 0.6729 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3559 -2.5652 2.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2902 -1.9622 0.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4979 -2.0437 1.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1310 2.6017 2.5047 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8736 2.3630 1.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9672 3.9465 1.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9566 2.5786 -0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3135 2.8197 0.2956 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4239 0.6564 1.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1190 0.3693 0.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2295 0.4044 -1.4991 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5461 -0.9116 -0.4802 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2711 1.8260 -1.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5213 0.6778 -0.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6029 0.6633 -2.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1594 0.2753 -3.1037 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0720 -2.0198 -1.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8396 -1.6794 -3.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6307 -3.1792 0.2409 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7609 -2.3825 -1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7807 -0.1545 -0.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6883 -0.9126 1.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7922 -1.5922 -0.7532 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6363 -2.4113 0.7973 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3765 -0.6370 0.9912 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9847 -0.1835 1.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3666 0.7645 -0.8848 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0540 1.2391 0.2629 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6551 2.1802 1.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0602 1.6718 0.7744 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9654 5.2352 0.6436 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 -1.6826 2.7568 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3607 -3.3267 2.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3572 -3.0309 2.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7498 -1.0540 1.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2252 -2.6524 1.9805 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3190 -2.6094 0.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 10 20 2 0 20 21 1 0 20 22 1 0 22 23 1 0 22 8 2 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 6 35 1 0 6 36 1 0 7 37 1 0 7 38 1 0 11 39 1 0 11 40 1 0 12 41 1 0 12 42 1 0 13 43 1 0 13 44 1 0 14 45 1 0 14 46 1 0 15 47 1 0 15 48 1 0 16 49 1 0 16 50 1 0 19 51 1 0 21 52 1 0 21 53 1 0 21 54 1 0 23 55 1 0 23 56 1 0 23 57 1 0 M END