HMDB0241584 RDKit 3D (8Z,11Z,13E,15S)-15-Hydroxyicosa-8,11,13-trienoylcarnitine 80 79 0 0 0 0 0 0 0 0999 V2000 10.7506 0.1259 0.3049 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9775 -0.7652 1.4736 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7663 -1.3760 2.0511 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7053 -0.5186 2.6011 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9538 0.3815 1.6966 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1639 -0.3860 0.6364 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2344 -1.2304 1.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4811 0.5597 -0.2663 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1626 0.4514 -0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5412 1.4026 -1.3991 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2762 1.3747 -1.6897 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3289 0.3881 -1.1584 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7061 -0.3765 -2.2437 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4294 -0.4318 -2.5134 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6229 0.2781 -1.7597 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3526 1.2138 -2.7164 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0084 0.5681 -3.8534 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0253 -0.4691 -3.7169 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2761 -0.1171 -3.0144 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1195 0.1954 -1.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4503 0.5208 -0.9427 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5013 0.5143 -1.6328 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5934 0.8369 0.3896 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8658 1.1393 0.9615 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8760 2.5272 1.5557 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2210 2.7978 2.1014 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1723 1.9893 1.9733 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5283 3.9675 2.7958 O 0 0 0 0 0 1 0 0 0 0 0 0 -6.9872 0.1631 2.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9335 -1.2262 1.6918 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.3657 -1.9885 2.8807 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8255 -1.5273 0.6176 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5980 -1.6895 1.4076 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8559 -0.0764 -0.2936 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6104 0.0506 -0.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7457 1.2091 0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6783 -1.5895 1.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6231 -0.2629 2.2561 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3064 -2.0928 1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0896 -2.0742 2.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9357 -1.2161 3.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0983 0.0481 3.5077 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1715 0.8993 2.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5025 1.1702 1.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7927 -1.0689 0.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5826 -2.1586 1.3596 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0322 1.3479 -0.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6892 -0.3610 0.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1889 2.1853 -1.8466 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8367 2.1265 -2.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6187 0.8433 -0.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8941 -0.3607 -0.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3865 -0.9602 -2.8923 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0495 -1.0439 -3.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2430 0.9322 -0.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3286 -0.4206 -1.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8361 2.0358 -2.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4385 1.7699 -3.2013 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3901 1.4199 -4.5206 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1884 0.1310 -4.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2801 -0.9409 -4.7351 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5739 -1.4040 -3.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0369 -0.9653 -3.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8100 0.7310 -3.5394 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4771 1.0224 -1.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6856 -0.7142 -1.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6887 1.0762 0.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6421 3.3190 0.8254 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1728 2.5687 2.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0487 0.3528 2.7271 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8680 0.3199 2.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2086 -1.4928 3.3896 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5880 -3.0073 2.5293 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4734 -2.0405 3.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5645 -0.7352 0.4919 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3608 -2.4788 0.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2709 -1.7583 -0.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3145 -2.6046 2.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8052 -0.9584 1.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5481 -2.0662 0.3462 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 2 3 9 10 1 0 10 11 2 3 11 12 1 0 12 13 1 0 13 14 2 3 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 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 24 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 30 33 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 7 46 1 0 8 47 1 0 9 48 1 0 10 49 1 0 11 50 1 0 12 51 1 0 12 52 1 0 13 53 1 0 14 54 1 0 15 55 1 0 15 56 1 0 16 57 1 0 16 58 1 0 17 59 1 0 17 60 1 0 18 61 1 0 18 62 1 0 19 63 1 0 19 64 1 0 20 65 1 0 20 66 1 0 24 67 1 0 25 68 1 0 25 69 1 0 29 70 1 0 29 71 1 0 31 72 1 0 31 73 1 0 31 74 1 0 32 75 1 0 32 76 1 0 32 77 1 0 33 78 1 0 33 79 1 0 33 80 1 0 M CHG 2 28 -1 30 1 M END