HMDB0060399 RDKit 3D 5-Methyl-3-oxo-4-hexenoyl-CoA 101103 0 0 0 0 0 0 0 0999 V2000 14.7017 0.3573 0.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2917 0.0664 -0.4102 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7844 0.8884 -1.4969 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6601 -0.8884 0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3482 -1.3842 -0.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9830 -2.3746 0.7555 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3764 -0.9290 -0.9959 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4011 0.0585 -0.3945 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4773 0.4243 -1.0717 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6591 0.6216 1.2450 S 0 0 0 0 0 0 0 0 0 0 0 0 8.3766 1.6570 1.9145 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0833 0.9443 2.1749 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5478 0.4023 0.9713 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2277 -0.8464 0.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4145 -1.6805 1.9267 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6760 -1.3861 -0.4082 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2494 -1.8713 -0.2124 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3522 -0.8143 0.2122 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9518 -0.6798 1.4211 C 0 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 -11.7342 1.8844 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8228 1.9324 -0.7999 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.7246 0.9754 -1.7395 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5365 0.5545 -2.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7730 1.2379 -2.9804 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.1222 -0.4505 -3.5393 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.9510 -1.0826 -3.3373 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1760 -0.6732 -2.3306 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.4991 0.3428 -1.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0891 -0.7384 -0.4307 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.7704 -1.8537 -0.0367 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6739 -0.6603 0.1627 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.6565 -1.1072 1.4896 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5264 -2.3172 1.7403 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.9456 -2.8347 0.4458 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2628 -3.5657 2.6461 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2499 -1.7188 2.6730 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1102 1.2369 -0.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3430 -0.5455 -0.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6447 0.5960 1.1597 H 0 0 0 0 0 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0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 3 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 2 3 19 20 1 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 1 0 23 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 28 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 32 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 2 0 44 45 1 0 44 46 1 0 46 47 2 0 47 48 1 0 48 49 2 0 39 50 1 0 50 51 1 0 50 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 54 57 1 0 52 37 1 0 49 40 1 0 49 43 1 0 1 58 1 0 1 59 1 0 1 60 1 0 3 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 7 65 1 0 7 66 1 0 11 67 1 0 11 68 1 0 12 69 1 0 12 70 1 0 15 71 1 0 16 72 1 0 16 73 1 0 17 74 1 0 17 75 1 0 20 76 1 0 21 77 1 1 22 78 1 0 24 79 1 0 24 80 1 0 24 81 1 0 25 82 1 0 25 83 1 0 25 84 1 0 26 85 1 0 26 86 1 0 30 87 1 0 34 88 1 0 36 89 1 0 36 90 1 0 37 91 1 1 39 92 1 1 41 93 1 0 45 94 1 0 45 95 1 0 47 96 1 0 50 97 1 6 51 98 1 0 52 99 1 6 56100 1 0 57101 1 0 M END