HMDB0241864 RDKit 3D 9-(5-Hexyl-3-methylfuran-2-yl)nonanoylcarnitine 80 80 0 0 0 0 0 0 0 0999 V2000 9.6325 0.4303 1.6127 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1027 -0.4886 0.5186 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6599 -1.7949 1.1352 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1415 -2.6977 0.0645 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9661 -2.1452 -0.6915 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 -1.8669 0.1951 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6955 -1.3252 -0.7024 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7447 -2.0740 -1.3491 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9477 -1.2078 -2.0562 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7773 -1.5386 -2.9169 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4561 0.0469 -1.8047 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8870 1.3043 -2.3799 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5917 1.6626 -1.6223 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8618 1.8729 -0.1843 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7146 2.1603 0.6722 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1363 3.3437 0.5121 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 3.5476 -0.7164 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8673 2.3978 -1.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8235 2.2621 0.1582 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7835 1.1404 -0.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6937 0.5147 -1.1541 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7431 0.7918 0.8207 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6877 -0.2765 0.6331 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3024 -1.3308 1.6299 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3443 -0.8712 3.0382 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6447 0.2877 3.4125 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0286 -1.7844 4.0319 O 0 0 0 0 0 1 0 0 0 0 0 0 -7.0653 0.2398 0.7646 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1439 -0.6686 0.6088 N 0 0 0 0 0 4 0 0 0 0 0 0 -9.3388 -0.0086 0.0621 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9075 -1.8542 -0.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5479 -1.0959 1.9619 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4817 -0.0749 -1.0046 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7881 0.6699 2.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4512 -0.0508 2.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9855 1.3683 1.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2790 0.0564 0.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8782 -0.6987 -0.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5616 -2.2719 1.5737 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9437 -1.6501 1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9299 -3.6852 0.5091 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9718 -2.8573 -0.6621 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6501 -2.9275 -1.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -1.2023 -1.1915 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3697 -2.7832 0.6536 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0089 -1.1327 0.9971 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6356 -3.1518 -1.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6884 -0.8615 -3.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8400 -1.4787 -2.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9220 -2.5843 -3.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6420 1.1954 -3.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6105 2.1258 -2.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8676 0.8688 -1.8358 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2657 2.6110 -2.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4470 0.9585 0.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6192 2.7095 -0.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0402 1.2302 0.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1342 2.2227 1.7484 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5409 4.2496 0.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8501 3.3677 1.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4301 3.8603 -1.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6049 4.4728 -0.4845 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3060 1.4464 -1.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4487 2.5881 -1.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2349 1.9441 1.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3181 3.1985 0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4265 -0.6781 -0.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2332 -1.6709 1.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8836 -2.2745 1.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1373 0.8207 1.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2077 1.0363 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4509 1.0132 0.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2645 -0.0886 -1.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2327 -0.6110 0.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7600 -1.9865 -0.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0097 -1.8500 -0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9649 -2.7875 0.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1555 -2.0947 2.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6542 -1.1498 2.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2144 -0.3859 2.7351 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 1 0 9 11 2 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 23 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 29 32 1 0 11 33 1 0 33 7 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 0 2 38 1 0 3 39 1 0 3 40 1 0 4 41 1 0 4 42 1 0 5 43 1 0 5 44 1 0 6 45 1 0 6 46 1 0 8 47 1 0 10 48 1 0 10 49 1 0 10 50 1 0 12 51 1 0 12 52 1 0 13 53 1 0 13 54 1 0 14 55 1 0 14 56 1 0 15 57 1 0 15 58 1 0 16 59 1 0 16 60 1 0 17 61 1 0 17 62 1 0 18 63 1 0 18 64 1 0 19 65 1 0 19 66 1 0 23 67 1 0 24 68 1 0 24 69 1 0 28 70 1 0 28 71 1 0 30 72 1 0 30 73 1 0 30 74 1 0 31 75 1 0 31 76 1 0 31 77 1 0 32 78 1 0 32 79 1 0 32 80 1 0 M CHG 2 27 -1 29 1 M END