HMDB0112088 RDKit 3D 5-Hexyl-2-furanhexanoic acid 45 45 0 0 0 0 0 0 0 0999 V2000 -7.2049 -1.1664 0.0045 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4186 -0.4260 1.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0647 -0.0909 0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1876 0.6464 1.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8709 0.9596 0.7572 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1280 -0.2801 0.3202 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8338 0.1144 -0.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7278 0.3606 -1.6628 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5833 0.6912 -1.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2270 0.6341 -0.6601 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6684 0.9352 -0.5247 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1757 0.8195 0.8698 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6434 1.1472 0.8799 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4575 0.2393 0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3569 -1.2112 0.4429 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1813 -2.0639 -0.4429 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1971 -3.3026 -0.2117 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9267 -1.5456 -1.5054 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3413 0.2869 0.2418 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4723 -1.8004 -0.5436 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5828 -0.3869 -0.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0237 -1.7716 0.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3008 -1.0575 1.9737 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9700 0.4785 1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6078 -1.0815 0.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2557 0.5205 -0.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6510 1.6387 1.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0623 0.1307 2.3881 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1991 1.5373 1.4606 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0022 1.6612 -0.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9689 -0.9322 1.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7215 -0.8704 -0.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5019 0.3117 -2.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0114 0.9465 -2.8515 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2057 0.1813 -1.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8439 1.9497 -0.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6681 1.5865 1.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9796 -0.1800 1.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7586 2.1775 0.4891 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0784 1.1306 1.8994 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2383 0.3269 -1.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5237 0.5262 0.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7117 -1.3359 1.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3116 -1.5693 0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6661 -0.8658 -1.3810 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 2 0 8 9 1 0 9 10 2 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 2 0 16 18 1 0 10 19 1 0 19 7 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 8 33 1 0 9 34 1 0 11 35 1 0 11 36 1 0 12 37 1 0 12 38 1 0 13 39 1 0 13 40 1 0 14 41 1 0 14 42 1 0 15 43 1 0 15 44 1 0 18 45 1 0 M END