HMDB0011660 RDKit 3D 2-Methylhexanoyl-CoA 104106 0 0 0 0 0 0 0 0999 V2000 11.1971 2.9921 1.5022 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4549 1.7431 2.2967 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0088 0.5170 1.5309 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7423 0.3875 0.2197 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2512 -0.8574 -0.4929 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5230 -2.0964 0.3699 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9748 -0.9569 -1.7824 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1942 -1.1179 -1.6954 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1641 -0.8545 -3.3383 S 0 0 0 0 0 0 0 0 0 0 0 0 9.4180 -0.5135 -3.1797 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0888 0.8833 -2.7111 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6597 1.0883 -2.6007 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8850 0.3218 -1.7201 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3430 -0.5701 -0.9740 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4059 0.5627 -1.6449 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7684 -0.3400 -0.6279 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3379 -0.0847 -0.5904 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4654 -0.7737 0.2716 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0243 -1.6511 1.0249 O 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 0 -12.0771 2.6643 1.0214 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.1968 3.0252 0.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0923 4.1992 -0.6288 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0433 5.2386 -0.4137 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.0845 4.2797 -1.5034 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.2135 3.2548 -1.6605 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3179 2.1102 -0.9488 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.3047 1.9778 -0.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7586 -1.0133 -0.3331 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.9089 -1.4900 -0.9269 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8950 -2.1493 0.2342 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.7684 -3.0605 0.8091 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5931 -4.6163 0.2262 P 0 0 0 0 0 5 0 0 0 0 0 0 -8.9959 -4.6606 -1.1527 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6584 -5.5032 1.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1401 -5.3497 0.2249 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2499 3.9010 2.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2113 2.8516 0.9935 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9582 3.0542 0.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5465 1.6616 2.4858 H 0 0 0 0 0 0 0 0 0 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24 87 1 0 25 88 1 0 25 89 1 0 29 90 1 0 33 91 1 0 35 92 1 0 35 93 1 0 36 94 1 1 38 95 1 1 40 96 1 0 44 97 1 0 44 98 1 0 46 99 1 0 49100 1 6 50101 1 0 51102 1 6 55103 1 0 56104 1 0 M END