HMDB0241831 RDKit 3D 11-{3,4-Dimethyl-5-[(1E)-prop-1-en-1-yl]furan-2-yl}undecanoylcarnitine 78 78 0 0 0 0 0 0 0 0999 V2000 10.5382 -1.7534 -0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5487 -1.6627 -1.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4881 -0.9853 -1.3673 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7680 -0.0134 -0.6074 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5777 0.4255 -1.0687 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0693 1.2968 -0.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7723 1.9865 -0.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6973 1.4346 0.4481 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4201 -0.0230 0.2447 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3376 -0.4232 1.2095 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0526 0.3295 1.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4778 0.1038 -0.3824 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 0.8900 -0.4788 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4682 0.7447 -1.8187 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8392 -0.6725 -2.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7662 -1.2954 -1.1452 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0751 -0.5983 -1.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3640 0.3892 -1.7512 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0309 -1.0207 -0.1103 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3046 -0.3676 0.0316 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4491 0.1630 1.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4334 1.1446 1.8246 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4998 1.6158 3.0091 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4011 1.6224 1.0448 O 0 0 0 0 0 1 0 0 0 0 0 0 -7.3845 -1.3693 -0.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7255 -0.8959 -0.2118 N 0 0 0 0 0 4 0 0 0 0 0 0 -9.3501 -0.9123 1.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5124 -1.8498 -1.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9124 0.3858 -0.8686 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9200 1.4753 0.7882 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7237 2.3847 1.9416 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0225 0.6227 0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1724 0.5470 1.4799 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3247 -2.5670 -0.4114 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1413 -2.0331 0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1194 -0.8244 -0.0987 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8084 -2.3647 -2.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9834 -1.2261 -2.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8368 3.0762 -0.2397 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4064 1.8860 -1.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9136 1.6663 1.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7683 1.9960 0.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2885 -0.6689 0.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0780 -0.1789 -0.7891 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1130 -1.5117 1.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6840 -0.2204 2.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3296 -0.0938 1.7662 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1209 1.4054 1.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3710 -0.9549 -0.6144 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1983 0.5430 -1.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5293 1.9742 -0.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4346 0.6244 0.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6904 1.0377 -2.5847 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3056 1.4210 -1.9786 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9774 -1.3298 -2.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3883 -0.6446 -3.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3374 -1.4123 -0.1321 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9605 -2.3453 -1.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3051 0.4783 -0.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4729 -0.6997 2.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4363 0.6456 1.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2008 -1.9126 -1.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3181 -2.1997 0.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7334 0.0886 1.3862 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2878 -1.5489 1.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7006 -1.3905 1.8275 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4746 -1.3781 -1.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6041 -2.7851 -0.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9298 -1.9964 -1.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9476 1.2386 -0.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1954 0.4791 -1.7048 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9290 0.3658 -1.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6784 2.8761 2.2294 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0278 3.1996 1.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3953 1.8285 2.8583 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1515 -0.4073 2.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0028 1.3273 2.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1368 0.8175 1.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 3 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 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 20 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 26 29 1 0 6 30 2 0 30 31 1 0 30 32 1 0 32 33 1 0 32 4 2 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 0 3 38 1 0 7 39 1 0 7 40 1 0 8 41 1 0 8 42 1 0 9 43 1 0 9 44 1 0 10 45 1 0 10 46 1 0 11 47 1 0 11 48 1 0 12 49 1 0 12 50 1 0 13 51 1 0 13 52 1 0 14 53 1 0 14 54 1 0 15 55 1 0 15 56 1 0 16 57 1 0 16 58 1 0 20 59 1 0 21 60 1 0 21 61 1 0 25 62 1 0 25 63 1 0 27 64 1 0 27 65 1 0 27 66 1 0 28 67 1 0 28 68 1 0 28 69 1 0 29 70 1 0 29 71 1 0 29 72 1 0 31 73 1 0 31 74 1 0 31 75 1 0 33 76 1 0 33 77 1 0 33 78 1 0 M CHG 2 24 -1 26 1 M END