HMDB0241728 RDKit 3D 3-Hydroxyocta-3,5-dienoylcarnitine 46 45 0 0 0 0 0 0 0 0999 V2000 6.9234 0.4253 0.5078 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7686 -1.0026 0.8469 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5141 -1.6864 0.6086 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3699 -1.3800 0.1362 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8698 -0.1293 -0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6544 0.0862 -0.8497 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3632 1.3862 -1.3028 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5805 -0.9123 -0.9445 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3956 -0.5249 -0.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3302 -0.7606 1.1098 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6635 0.1037 -0.7019 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8518 0.4855 0.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8363 1.9744 -0.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8059 2.7749 0.6997 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5377 2.4187 1.6407 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9137 4.1287 0.2785 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.9320 -0.2495 -0.5611 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2650 -0.2651 -0.1454 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.5099 -0.5140 1.2418 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0878 0.8153 -0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8538 -1.4699 -0.8358 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9706 0.7763 0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8373 0.5970 -0.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2676 1.0784 1.1136 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5979 -1.5941 0.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0283 -1.1711 1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5881 -2.7852 0.9328 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6006 -2.1977 0.1009 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5860 0.7150 -0.3643 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5959 1.5527 -2.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2212 -0.8462 -2.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8869 -1.9386 -0.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6768 0.1801 1.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8173 2.4029 0.2559 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8462 2.2395 -1.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6065 -1.3281 -0.7271 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9082 0.1381 -1.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6371 -0.2995 1.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9154 -1.5290 1.4152 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3246 0.1759 1.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5488 1.5438 -1.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9002 0.4195 -1.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5951 1.2900 0.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9687 -1.1535 -1.8908 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1102 -2.2668 -0.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8377 -1.7035 -0.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 2 3 6 7 1 0 6 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 12 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 18 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 4 28 1 0 5 29 1 0 7 30 1 0 8 31 1 0 8 32 1 0 12 33 1 0 13 34 1 0 13 35 1 0 17 36 1 0 17 37 1 0 19 38 1 0 19 39 1 0 19 40 1 0 20 41 1 0 20 42 1 0 20 43 1 0 21 44 1 0 21 45 1 0 21 46 1 0 M CHG 2 16 -1 18 1 M END