HMDB0112079 RDKit 3D 3-Methyl-5-propyl-2-furantridecanoic acid 60 60 0 0 0 0 0 0 0 0999 V2000 -6.3234 -1.0308 3.0989 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0175 0.1885 2.5576 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0452 1.1493 1.8909 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3842 0.4580 0.7577 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8345 0.4199 -0.5681 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9209 -0.3298 -1.2922 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9750 -0.6507 -2.7505 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9742 -0.7015 -0.3688 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7617 -1.5195 -0.6054 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6870 -0.6890 -1.2738 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5026 -1.5964 -1.4829 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6752 -0.9657 -2.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1642 0.1821 -1.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3650 0.7541 -1.9885 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9055 1.9063 -1.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3163 1.4625 0.1757 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3920 0.3916 0.0474 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7566 0.0136 1.4783 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8094 -1.0466 1.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0746 -0.6408 0.8146 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7332 0.5191 1.4437 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2790 1.0518 2.4645 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8973 1.0160 0.8598 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2888 -0.2193 0.8061 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3249 -1.1737 2.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2441 -0.8806 4.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9343 -1.9168 2.8785 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7840 -0.1675 1.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6081 0.6988 3.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6002 2.0425 1.5165 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2571 1.4231 2.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7179 0.8923 -0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0602 -0.5860 -3.0597 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4676 0.1180 -3.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6701 -1.6764 -2.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3381 -1.8883 0.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0200 -2.4131 -1.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3590 0.1056 -0.5423 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0265 -0.1751 -2.1671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2708 -2.0384 -0.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8665 -2.4349 -2.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4822 -1.7127 -2.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3855 -0.6073 -3.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4773 -0.2924 -0.3139 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3613 0.9207 -1.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0786 -0.0735 -2.1425 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0250 1.1073 -3.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7915 2.3741 -1.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1472 2.7472 -1.1429 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4334 1.0798 0.7164 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7435 2.3439 0.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2869 0.7828 -0.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0450 -0.5025 -0.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8036 -0.3680 1.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0439 0.8849 2.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4085 -1.9472 0.9726 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0545 -1.3439 2.5456 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7503 -1.5439 0.8406 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8872 -0.4518 -0.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6907 0.3938 0.7007 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 2 0 5 6 1 0 6 7 1 0 6 8 2 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 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 8 24 1 0 24 4 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 5 32 1 0 7 33 1 0 7 34 1 0 7 35 1 0 9 36 1 0 9 37 1 0 10 38 1 0 10 39 1 0 11 40 1 0 11 41 1 0 12 42 1 0 12 43 1 0 13 44 1 0 13 45 1 0 14 46 1 0 14 47 1 0 15 48 1 0 15 49 1 0 16 50 1 0 16 51 1 0 17 52 1 0 17 53 1 0 18 54 1 0 18 55 1 0 19 56 1 0 19 57 1 0 20 58 1 0 20 59 1 0 23 60 1 0 M END