HMDB0241607 RDKit 3D (7E,10E,13E,16E)-3-Hydroxydocosa-7,10,13,16-tetraenoylcarnitine 84 83 0 0 0 0 0 0 0 0999 V2000 10.8923 3.5197 1.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5789 3.0686 0.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4189 1.5618 0.8232 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4578 1.0375 2.2193 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2635 -0.4472 2.2475 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9274 -0.8954 1.8329 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9159 -0.1294 1.5505 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -0.7650 1.1292 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3205 -0.2367 -0.2528 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2349 -1.0986 -1.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9583 -0.6102 -2.6106 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7271 -1.1739 -3.1915 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9654 -2.0341 -2.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7404 -2.5986 -3.1044 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5078 -2.3256 -2.3616 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3814 -1.6431 -1.2523 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9131 -1.4090 -0.5565 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0335 -2.0547 -1.3321 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3921 -1.8855 -0.6968 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3869 -2.5043 0.6603 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0659 -3.8731 0.4764 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7795 -2.5336 1.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3663 -1.1844 1.4245 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2437 -0.5544 2.5270 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0446 -0.5797 0.4077 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6401 0.7672 0.5487 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8158 1.6156 -0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1253 3.0401 -0.4557 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7199 3.5853 -1.4448 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7902 3.9573 0.5551 O 0 0 0 0 0 1 0 0 0 0 0 0 -8.0639 0.5493 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0026 1.5955 0.2851 N 0 0 0 0 0 4 0 0 0 0 0 0 -9.4273 2.0863 -1.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7080 2.6943 1.1413 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2519 0.9673 0.8249 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6315 2.7199 1.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8128 3.8036 2.4215 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2463 4.4261 0.7886 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5453 3.3688 -0.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6951 3.5008 1.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3191 1.0862 0.2963 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5607 1.2371 0.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6266 1.5218 2.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3863 1.3199 2.7644 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5219 -0.8671 3.2743 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0427 -0.8619 1.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7547 -1.9922 1.7485 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8839 0.9553 1.6131 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7126 -1.8653 1.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7908 -0.5075 1.8249 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1933 0.8226 -0.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3608 -2.1452 -1.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9019 0.5166 -2.6081 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8027 -0.9195 -3.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4342 -0.8767 -4.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2501 -2.3435 -1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8419 -3.7023 -3.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6456 -2.2391 -4.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4097 -2.7455 -2.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2839 -1.2096 -0.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1366 -0.3051 -0.5222 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8605 -1.7858 0.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8092 -3.1535 -1.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0392 -1.6855 -2.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5891 -0.7782 -0.6327 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1183 -2.3588 -1.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6857 -1.9928 1.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8782 -4.2633 0.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6824 -2.9787 2.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4589 -3.2012 0.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4128 1.0512 1.5803 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8281 1.2023 -1.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7445 1.5654 0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4210 -0.3556 0.8045 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0870 0.1520 -0.8654 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6705 1.6765 -1.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3978 1.6745 -1.3541 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4972 3.1820 -1.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5475 2.8145 1.8773 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6971 3.6783 0.6054 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8109 2.5465 1.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9802 1.7826 0.9196 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0538 0.5187 1.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5511 0.1672 0.1114 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 3 7 8 1 0 8 9 1 0 9 10 2 3 10 11 1 0 11 12 1 0 12 13 2 3 13 14 1 0 14 15 1 0 15 16 2 3 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 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 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 10 52 1 0 11 53 1 0 11 54 1 0 12 55 1 0 13 56 1 0 14 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 18 64 1 0 19 65 1 0 19 66 1 0 20 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