HMDB0241879 RDKit 3D (5E)-7-[3,5-Dihydroxy-2-(3-hydroxyoctyl)cyclopentyl]hept-5-enoylcarnitine 84 84 0 0 0 0 0 0 0 0999 V2000 11.6157 -0.1278 0.6998 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5511 0.8424 0.2838 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1539 0.2496 0.3611 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1999 1.3261 -0.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7657 0.9097 -0.0649 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5797 -0.2570 -0.9898 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9625 0.1646 -2.2832 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1122 -0.6248 -1.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5360 -1.0028 0.2411 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0771 -1.3527 0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5148 -1.7347 1.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5074 -2.5031 2.0302 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4043 -0.3990 2.0839 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1152 0.5851 0.9904 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0617 1.6068 1.0790 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2245 -0.1757 -0.3139 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8731 -0.6832 -0.7734 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0344 0.4342 -1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1934 0.6247 -0.5237 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0823 1.7357 -0.9009 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4242 1.2528 -1.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1457 0.4650 -0.3001 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4605 0.0418 -0.8656 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8337 0.3247 -2.0103 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2817 -0.6962 -0.0622 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5397 -1.2081 -0.3465 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6247 -2.7176 -0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7225 -3.4091 -1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6875 -4.6639 -1.2628 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8803 -2.7315 -2.0708 O 0 0 0 0 0 1 0 0 0 0 0 0 -8.5361 -0.6366 0.6347 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6793 0.7776 0.6183 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.5475 1.5327 1.0664 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1374 1.2451 -0.6801 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8002 1.0672 1.5451 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3210 -0.3681 -0.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2532 0.3801 1.4753 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2187 -1.0729 1.1018 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5425 1.7420 0.9274 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7795 1.1745 -0.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9466 -0.0810 1.3886 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1546 -0.6400 -0.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5299 1.6610 -1.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3118 2.1660 0.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4916 0.6771 0.9783 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1711 1.7568 -0.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2183 -1.1044 -0.7192 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8810 1.1502 -2.3489 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 0.2396 -1.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0222 -1.4849 -1.7893 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0574 -1.8969 0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 -0.1862 0.9756 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0210 -2.1779 -0.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5671 -2.2683 1.3462 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2562 -3.4544 1.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3568 -0.2014 2.6121 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5383 -0.4522 2.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1185 1.0720 1.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9545 2.2347 0.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6585 0.5040 -1.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0365 -1.3506 -1.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3776 -1.2733 0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2866 1.0918 -1.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4616 -0.0793 0.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2107 2.4699 -0.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6152 2.2977 -1.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3114 0.6727 -2.3014 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0479 2.1451 -1.5973 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6090 -0.4326 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2624 1.1239 0.5853 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8130 -0.9188 -1.3962 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5347 -3.0932 0.7634 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6738 -2.9869 -0.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1744 -0.9122 1.6693 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5384 -1.0789 0.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8791 2.2364 1.8731 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8076 0.8733 1.5602 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1016 2.1328 0.2218 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1200 0.7886 -0.8796 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2626 2.3385 -0.5918 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3991 1.0666 -1.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5516 0.2707 1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3944 0.9088 2.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1914 2.0781 1.3803 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 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 2 3 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 26 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 32 35 1 0 16 10 1 0 1 36 1 0 1 37 1 0 1 38 1 0 2 39 1 0 2 40 1 0 3 41 1 0 3 42 1 0 4 43 1 0 4 44 1 0 5 45 1 0 5 46 1 0 6 47 1 0 7 48 1 0 8 49 1 0 8 50 1 0 9 51 1 0 9 52 1 0 10 53 1 0 11 54 1 0 12 55 1 0 13 56 1 0 13 57 1 0 14 58 1 0 15 59 1 0 16 60 1 0 17 61 1 0 17 62 1 0 18 63 1 0 19 64 1 0 20 65 1 0 20 66 1 0 21 67 1 0 21 68 1 0 22 69 1 0 22 70 1 0 26 71 1 0 27 72 1 0 27 73 1 0 31 74 1 0 31 75 1 0 33 76 1 0 33 77 1 0 33 78 1 0 34 79 1 0 34 80 1 0 34 81 1 0 35 82 1 0 35 83 1 0 35 84 1 0 M CHG 2 30 -1 32 1 M END