HMDB0059808 RDKit 3D Acetyl citrate 26 25 0 0 0 0 0 0 0 0999 V2000 4.6408 0.4001 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3024 0.7224 -0.6185 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0745 1.8699 -1.0626 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2520 -0.2011 -0.6496 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0031 0.1462 -1.1542 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8083 1.3101 -1.5914 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1301 -0.8077 -1.2018 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0365 -0.6005 -0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 -0.7910 1.1927 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6554 0.7767 -0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5493 0.9461 1.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7032 0.0361 1.9921 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2071 2.1598 1.3238 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1366 -1.5835 -0.1317 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8396 -1.5558 -1.1665 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4211 -2.5191 0.8401 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9757 -0.6203 -0.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3627 1.1544 -0.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6297 0.4622 1.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2086 -1.8596 -1.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7563 -0.6331 -2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8715 -1.4106 1.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8958 1.5949 -0.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2954 0.9455 -0.9034 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1011 2.6404 2.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2839 -2.5825 1.3534 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 8 14 1 0 14 15 2 0 14 16 1 0 1 17 1 0 1 18 1 0 1 19 1 0 7 20 1 0 7 21 1 0 9 22 1 0 10 23 1 0 10 24 1 0 13 25 1 0 16 26 1 0 M END