HMDB0094752 RDKit 3D 4-hydroxyoct-1-enoylglycine 32 31 0 0 0 0 0 0 0 0999 V2000 -3.8707 2.0268 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0233 0.7872 0.3549 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8928 0.6740 -0.6163 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0689 -0.5467 -0.3721 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4141 -0.6568 0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2609 -0.6825 2.0432 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4767 -1.8780 1.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5572 -1.8367 0.0418 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6615 -2.7877 -0.8508 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5447 -3.5080 -1.8499 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4487 -0.7350 0.0864 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7294 0.1034 -1.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6893 1.1560 -0.6898 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1573 1.2437 0.4819 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1324 2.1028 -1.6020 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1549 2.0820 -1.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3352 2.9233 0.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7928 1.9122 0.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6155 -0.1359 0.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5902 0.9743 1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2582 1.6131 -0.5796 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2694 0.6309 -1.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7682 -1.4209 -0.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2932 -0.5786 -1.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2699 0.2378 1.0471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 -0.9526 2.8354 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1717 -2.7730 0.9431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9649 -1.9410 2.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9162 -0.5362 0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1581 -0.5585 -1.8436 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8034 0.5549 -1.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0393 2.5057 -1.6048 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 5 7 1 0 7 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 6 26 1 0 7 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