HMDB0094740 RDKit 3D 2-hydroxyoct-3-enoylglycine 32 31 0 0 0 0 0 0 0 0999 V2000 4.3706 -0.2055 1.4288 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2658 -0.7346 0.5004 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8799 0.2714 -0.5242 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7808 -0.2408 -1.3971 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5073 -0.4091 -0.6705 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2995 -0.0633 0.5748 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0762 -0.3205 1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6846 -1.3703 0.5140 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7745 0.9712 1.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1788 2.0189 1.8180 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8161 1.1626 0.4376 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4818 0.1546 -0.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6550 0.8371 -0.9865 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9110 2.0321 -0.8309 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4591 0.0531 -1.7921 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8902 0.3865 2.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8343 -1.1303 1.8639 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0905 0.3627 0.8139 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4982 -1.1555 1.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7501 -1.5863 -0.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5690 1.2396 -0.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7630 0.4326 -1.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0572 -1.2077 -1.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5773 0.4743 -2.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3129 -0.8721 -1.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9858 0.4146 1.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9289 -0.6453 2.2269 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5129 -2.2342 0.9561 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1747 2.0560 2.8117 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8656 -0.6619 0.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8053 -0.2121 -1.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4821 0.1819 -1.8281 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 3 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 9 11 2 3 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 4 24 1 0 5 25 1 0 6 26 1 0 7 27 1 0 8 28 1 0 10 29 1 0 12 30 1 0 12 31 1 0 15 32 1 0 M END