HMDB0112072 RDKit 3D 5-Butyl-3,4-dimethyl-2-furanundecanoic acid 60 60 0 0 0 0 0 0 0 0999 V2000 -6.4188 -0.5489 -2.7388 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8612 0.7452 -2.2604 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1083 0.6702 -0.9548 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9109 -0.2504 -1.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1929 -0.3092 0.2729 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0594 0.2910 0.5291 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6529 0.0605 1.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4121 0.6098 2.3088 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7129 -0.3592 2.4165 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1333 -0.9545 1.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 0.1140 0.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0159 -0.4933 -1.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1285 -1.4492 -1.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4186 -1.0649 -0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2645 -0.0162 -1.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7245 1.3626 -1.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7977 2.3038 -1.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9715 2.2451 -0.8756 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9099 1.4098 -1.0639 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0889 3.1232 0.1977 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5748 -0.7431 2.3467 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5357 -1.2731 3.7554 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5465 -0.9787 1.4181 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7638 -1.8034 1.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8745 -1.4521 -2.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4409 -0.6733 -2.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6425 -0.4967 -3.8435 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2393 1.1680 -3.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7280 1.4436 -2.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7851 1.7225 -0.7354 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7712 0.4006 -0.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2251 0.1628 -1.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1876 -1.2606 -1.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6476 0.9438 3.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0479 1.4936 1.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4405 -1.1872 3.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5645 0.1632 2.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3450 -1.5982 0.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0067 -1.6152 1.2822 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3490 0.7428 0.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7065 0.7487 -0.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0612 0.2767 -1.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0998 -1.1352 -1.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7353 -2.4196 -0.6486 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3442 -1.7859 -2.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3531 -0.8649 0.5987 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0602 -2.0244 -0.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1883 0.0411 -0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7153 -0.3196 -2.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8810 1.4897 -1.8373 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4273 1.7247 -0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0360 1.8240 -2.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3573 3.2968 -1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0231 4.1264 0.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1038 -0.5265 4.4277 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0286 -2.2589 3.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5780 -1.4611 4.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3446 -1.9197 0.6769 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4002 -2.8415 1.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3703 -1.4960 2.4763 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 1 0 18 19 2 0 18 20 1 0 7 21 2 0 21 22 1 0 21 23 1 0 23 24 1 0 23 5 2 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 4 32 1 0 4 33 1 0 8 34 1 0 8 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 20 54 1 0 22 55 1 0 22 56 1 0 22 57 1 0 24 58 1 0 24 59 1 0 24 60 1 0 M END