HMDB0241410 RDKit 3D 3-Hydroxytetradeca-8,10,12-trienoylcarnitine 62 61 0 0 0 0 0 0 0 0999 V2000 8.2257 1.5039 -0.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8011 1.0673 1.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9549 0.0646 1.2419 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4388 -0.6121 0.0709 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5841 -1.6277 0.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1082 -2.2586 -1.0591 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2726 -3.2528 -1.0311 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7223 -3.8434 0.1916 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1792 -3.6625 0.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9765 -2.1853 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5608 -1.8166 -0.2276 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3409 -2.2587 0.8575 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3440 -3.6430 0.9706 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7526 -1.8535 0.5379 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9979 -0.4257 0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1996 0.5204 0.5640 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2893 -0.0480 0.0268 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6719 1.3162 -0.1541 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2181 1.5872 -1.5031 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2465 1.2780 -2.5829 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1048 0.8310 -2.3357 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5808 1.4783 -3.9180 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.6799 1.5639 0.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2622 2.8484 1.0388 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.5139 2.8261 0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4619 3.9486 0.6211 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6871 3.0989 2.4347 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2791 1.7253 -0.8097 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7764 0.6764 -0.7438 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8013 2.4287 -0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1698 1.5537 1.9939 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6190 -0.2860 2.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7427 -0.3004 -0.9152 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3046 -1.9116 1.1449 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4622 -1.8879 -2.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9600 -3.6774 -1.9995 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9668 -3.3014 1.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9318 -4.9323 0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8646 -4.2434 -0.7942 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7691 -4.0498 1.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6058 -1.7487 -0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3647 -1.7312 0.9206 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1646 -2.2118 -1.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4603 -0.6949 -0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0240 -1.8859 1.8651 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1968 -4.0615 0.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3987 -2.2361 1.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0513 -2.3996 -0.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7544 1.9018 0.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2085 1.1223 -1.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4045 2.6858 -1.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2515 1.3227 1.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4996 0.8107 0.8161 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4217 3.4442 -0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3575 3.2172 0.8841 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7887 1.7972 -0.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4221 4.7072 1.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4374 3.6986 0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0097 4.4928 -0.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5207 3.8185 2.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0759 2.1659 2.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8925 3.5462 3.0333 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 2 3 5 6 1 0 6 7 2 3 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 18 23 1 0 23 24 1 0 24 25 1 0 24 26 1 0 24 27 1 0 1 28 1 0 1 29 1 0 1 30 1 0 2 31 1 0 3 32 1 0 4 33 1 0 5 34 1 0 6 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 9 39 1 0 9 40 1 0 10 41 1 0 10 42 1 0 11 43 1 0 11 44 1 0 12 45 1 0 13 46 1 0 14 47 1 0 14 48 1 0 18 49 1 0 19 50 1 0 19 51 1 0 23 52 1 0 23 53 1 0 25 54 1 0 25 55 1 0 25 56 1 0 26 57 1 0 26 58 1 0 26 59 1 0 27 60 1 0 27 61 1 0 27 62 1 0 M CHG 2 22 -1 24 1 M END