HMDB0241327 RDKit 3D (5E,9E)-3-Hydroxytrideca-5,9-dienoylcarnitine 61 60 0 0 0 0 0 0 0 0999 V2000 8.0016 0.3132 0.6134 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1125 -0.7078 1.2993 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6878 -0.2786 1.1491 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3724 -0.2106 -0.3138 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4236 -0.9413 -0.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1396 -0.8499 -2.3014 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6849 -0.3880 -2.4656 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4558 0.9214 -1.8724 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6108 1.1982 -0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7351 0.2003 -0.2959 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9641 0.0831 1.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2740 -0.2790 1.4925 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0443 -0.8020 1.8123 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4171 -0.3044 1.6868 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9976 0.0238 2.7793 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1726 -0.1428 0.5633 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5353 0.3322 0.5932 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5696 1.6876 -0.1002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7355 2.7094 0.5407 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5613 2.8869 0.1481 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2201 3.4962 1.5852 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.3406 -0.6288 -0.1908 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7414 -0.4199 -0.3075 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.0182 0.0786 -1.6508 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4669 -1.7154 -0.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3516 0.4731 0.6132 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0982 0.0970 -0.4779 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0116 0.2676 1.0794 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5476 1.3007 0.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4296 -0.8044 2.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2804 -1.6663 0.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9682 -0.9904 1.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5173 0.7237 1.5553 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9379 0.4604 -0.9621 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8494 -1.6207 -0.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1482 -1.8819 -2.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8054 -0.1869 -2.8581 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0459 -1.1552 -2.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5043 -0.3822 -3.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0714 1.7513 -2.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5044 2.2359 -0.5336 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3154 0.5992 -0.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7083 -0.7861 -0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 1.1157 1.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3753 -1.2185 1.7174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0086 -1.8287 1.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2259 -1.0194 2.8813 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7691 0.4333 1.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5927 2.1111 -0.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2716 1.5261 -1.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2056 -1.6760 0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9272 -0.7524 -1.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9953 -0.3617 -1.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1302 1.1783 -1.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2244 -0.2786 -2.3416 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5349 -1.4416 -0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2449 -2.2785 -1.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1241 -2.3030 0.6171 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7468 0.7999 1.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2340 -0.0551 1.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8339 1.3522 0.1074 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 2 3 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 3 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 17 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 23 26 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 0 2 31 1 0 3 32 1 0 3 33 1 0 4 34 1 0 5 35 1 0 6 36 1 0 6 37 1 0 7 38 1 0 7 39 1 0 8 40 1 0 9 41 1 0 10 42 1 0 10 43 1 0 11 44 1 0 12 45 1 0 13 46 1 0 13 47 1 0 17 48 1 0 18 49 1 0 18 50 1 0 22 51 1 0 22 52 1 0 24 53 1 0 24 54 1 0 24 55 1 0 25 56 1 0 25 57 1 0 25 58 1 0 26 59 1 0 26 60 1 0 26 61 1 0 M CHG 2 21 -1 23 1 M END