HMDB0304449 RDKit 3D p-dihydrocoumaroyl-CoA 99102 0 0 0 0 0 0 0 0999 V2000 -0.4743 -0.1419 0.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1992 -0.0321 -0.7549 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0363 -0.7986 -1.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4047 -0.5863 -1.5416 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1950 -0.5221 -2.8849 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4265 -0.9957 -3.8832 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.2677 -2.4462 -4.2913 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5610 -0.0004 -5.2587 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8989 -0.8312 -3.0723 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2700 -2.2847 -2.3196 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.2261 -3.3368 -2.4517 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6923 -2.8768 -3.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6741 -2.0513 -0.6904 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2302 -0.8221 -0.4473 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5704 -0.6104 1.0123 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.0794 0.6543 1.1270 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2316 0.6476 1.8768 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.2546 1.3102 1.1212 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.3936 2.6605 1.1185 C 0 0 0 0 0 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10 12 1 0 10 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 17 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 32 35 1 0 2 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 38 40 2 3 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 43 45 2 3 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 2 0 56 57 1 0 56 58 1 0 58 59 2 0 30 15 1 0 59 53 1 0 27 18 1 0 27 21 1 0 1 60 1 0 1 61 1 0 1 62 1 0 3 63 1 0 3 64 1 0 3 65 1 0 4 66 1 0 4 67 1 0 8 68 1 0 12 69 1 0 14 70 1 0 14 71 1 0 15 72 1 1 17 73 1 1 19 74 1 0 23 75 1 0 23 76 1 0 25 77 1 0 28 78 1 1 29 79 1 0 30 80 1 6 35 81 1 0 36 82 1 6 37 83 1 0 41 84 1 0 41 85 1 0 42 86 1 0 42 87 1 0 46 88 1 0 46 89 1 0 47 90 1 0 47 91 1 0 51 92 1 0 51 93 1 0 52 94 1 0 52 95 1 0 54 96 1 0 55 97 1 0 58 98 1 0 59 99 1 0 M CHG 4 34 -1 39 -1 44 -1 57 -1 M END