HMDB0094748 RDKit 3D 3-hydroxyoct-4-enoylglycine 32 31 0 0 0 0 0 0 0 0999 V2000 -4.8203 0.6434 0.3525 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4318 -0.6506 -0.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3937 -1.3949 0.5005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2219 -0.4787 0.6171 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0596 -0.8838 0.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1063 0.0364 0.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7355 -0.0820 1.5071 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0314 -0.2279 -0.8725 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2027 0.6826 -0.7695 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1023 2.0454 -0.7872 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3510 0.1162 -0.6593 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5262 0.9483 -0.5554 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4346 0.3477 0.4528 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5435 0.9336 0.6994 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1028 -0.8080 1.1107 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0233 1.3967 0.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8111 0.9839 0.0394 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7305 0.4578 1.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9949 -0.4021 -1.3061 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3245 -1.2905 -0.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7708 -1.5649 1.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1393 -2.3053 -0.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3134 0.4931 1.0707 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9707 -1.8719 -0.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2625 1.0827 0.1898 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1828 -0.9360 1.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4905 0.0869 -1.8082 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3055 -1.2692 -1.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2791 2.5818 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0316 1.0439 -1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2253 1.9788 -0.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6175 -1.6933 0.9890 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 2 3 5 6 1 0 6 7 1 0 6 8 1 0 8 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 5 24 1 0 6 25 1 0 7 26 1 0 8 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