HMDB0031005 RDKit 3D 3-Methyl-5-pentyl-2-furanundecanoic acid 60 60 0 0 0 0 0 0 0 0999 V2000 -6.7877 2.6546 -0.5012 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9117 2.0884 0.8889 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9071 0.9580 1.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2120 -0.0976 -0.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2750 -1.2570 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8508 -0.9094 -0.1866 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2846 -0.8967 -1.4392 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9557 -0.5247 -1.2009 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9377 -0.3387 -2.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7945 -0.3389 0.1465 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5535 0.0549 0.8749 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3654 -1.0622 1.2055 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8224 -1.7840 -0.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7590 -2.9410 0.2968 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0017 -2.5104 0.9972 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8403 -1.5246 0.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0527 -1.2117 1.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0064 -0.2509 0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3474 1.0701 0.0833 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3815 1.9739 -0.5746 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8015 3.2868 -0.9001 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5962 3.6039 -0.6585 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5883 4.2580 -1.5065 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9727 -0.5840 0.7104 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4662 2.0610 -1.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7512 2.6594 -0.8771 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1436 3.7129 -0.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7503 2.8709 1.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9471 1.7323 1.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8849 1.3509 0.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0342 0.4976 2.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2306 -0.4983 0.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3299 0.3344 -1.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6085 -2.0854 -0.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3453 -1.6934 1.0827 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7213 -1.1140 -2.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4973 0.0171 -3.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2278 0.4768 -2.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4505 -1.2843 -2.5859 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0321 0.8988 0.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8853 0.5165 1.8525 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0377 -1.7548 1.9768 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3191 -0.6784 1.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0886 -2.3054 -0.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3284 -1.1450 -0.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0698 -3.3517 -0.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2632 -3.7008 0.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7401 -2.0720 1.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6221 -3.4492 1.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1469 -1.9960 -0.7746 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2536 -0.6120 -0.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6993 -0.7206 1.9789 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6144 -2.1298 1.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3785 -0.6431 -0.5942 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8659 -0.1342 1.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0192 1.5168 1.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5135 0.9820 -0.6121 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6772 1.4884 -1.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3117 2.0411 0.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4896 4.4948 -1.0709 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 2 0 7 8 1 0 8 9 1 0 8 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 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 10 24 1 0 24 6 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 4 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 7 36 1 0 9 37 1 0 9 38 1 0 9 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