HMDB0013115 RDKit 3D Valproyl-CoA 107109 0 0 0 0 0 0 0 0999 V2000 13.4452 0.4656 -2.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4544 0.4979 -1.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2168 -0.8798 -0.4924 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2779 -0.9823 0.6588 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7697 -0.1854 1.8574 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1187 -0.6807 2.3267 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0858 -2.1281 2.7431 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8990 -0.5583 0.3512 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9903 -1.4000 0.3234 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5167 1.1443 0.0182 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7738 1.3848 -0.3473 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3767 0.7167 -1.6562 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9860 0.9354 -1.9271 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9298 0.5140 -1.0971 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1430 -0.1075 -0.0255 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5255 0.8097 -1.4945 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5450 0.2561 -0.5058 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1697 0.5286 -0.8414 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6012 0.0633 -2.0423 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3335 -0.6019 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0 0 0 0 0 0 0 -10.2966 -0.1701 2.5672 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4224 0.5860 2.5902 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.0704 0.3921 1.4383 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2444 0.8875 0.9202 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0707 1.8080 1.6145 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.6359 0.4869 -0.3004 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.8829 -0.3956 -1.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7388 -0.8712 -0.4947 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.3168 -0.5000 0.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6594 -1.2986 -0.3560 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.0642 -2.3857 -0.9955 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5932 -0.3009 0.1364 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7315 0.0489 -0.8586 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9794 1.7147 -1.1585 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.0964 1.9644 -2.6563 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7657 2.6675 -0.5233 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4568 2.2131 -0.4684 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2951 -0.4961 -2.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4925 0.5710 -1.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2619 1.3468 -2.8148 H 0 0 0 0 0 0 0 0 0 0 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72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 16 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 18 82 1 0 21 83 1 0 22 84 1 0 24 85 1 0 24 86 1 0 24 87 1 0 25 88 1 0 25 89 1 0 25 90 1 0 26 91 1 0 26 92 1 0 30 93 1 0 34 94 1 0 36 95 1 0 36 96 1 0 37 97 1 6 39 98 1 6 41 99 1 0 45100 1 0 45101 1 0 47102 1 0 50103 1 6 51104 1 0 52105 1 1 56106 1 0 57107 1 0 M END