HMDB0094745 RDKit 3D 3-hydroxyoct-1-enoylglycine 32 31 0 0 0 0 0 0 0 0999 V2000 3.2921 0.3023 0.3697 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6156 1.3965 -0.3578 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1639 1.2791 -0.6282 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6974 0.1405 -1.4465 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8891 -1.2282 -0.9343 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 -1.5668 0.3525 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5665 -2.9112 0.6091 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2947 -1.5899 0.2399 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9510 -2.7228 0.4653 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5765 -3.6885 0.9500 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1017 -0.4812 -0.0953 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4393 0.5526 0.8489 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2812 1.6069 0.2748 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6536 1.5835 -0.9222 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6753 2.6591 1.0815 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1033 0.7808 1.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6877 -0.3046 1.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9281 -0.3476 -0.3104 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1934 1.5644 -1.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7986 2.3671 0.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8612 2.2352 -1.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5852 1.3309 0.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 0.3295 -1.8083 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 0.1975 -2.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4216 -1.9275 -1.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9557 -1.4802 -0.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4315 -0.9021 1.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2472 -3.4141 -0.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4660 -0.4207 -1.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9618 0.0202 1.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5443 1.0102 1.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6095 3.6292 0.8065 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 1 0 6 7 1 0 6 8 1 0 8 9 2 0 9 10 2 0 8 11 1 0 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 5 26 1 0 6 27 1 0 7 28 1 0 11 29 1 0 12 30 1 0 12 31 1 0 15 32 1 0 M END