HMDB0094749 RDKit 3D 3-hydroxyoct-5-enoylglycine 32 31 0 0 0 0 0 0 0 0999 V2000 4.7932 1.3306 -0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2747 1.4638 -0.6503 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6827 0.2364 -0.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9207 -0.6056 -0.7311 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3683 -1.8074 -0.0798 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1484 -1.8241 -0.0961 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6579 -1.8031 -1.3751 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6235 -0.5992 0.6682 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1130 -0.6049 0.6588 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7705 -1.6875 1.2284 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7341 0.3734 0.1339 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1741 0.4021 0.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6180 1.6939 -0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8659 1.8946 -0.5633 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7149 2.6438 -0.8695 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2473 2.2439 -0.0936 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0661 0.4939 0.1607 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2306 1.0922 -1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9160 2.3274 -0.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0158 1.6328 -1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 0.0400 0.9679 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7004 -0.4102 -1.7618 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7517 -2.7376 -0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7318 -1.8865 0.9647 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4914 -2.7472 0.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3403 -1.0095 -1.8665 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 0.3086 0.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3015 -0.6846 1.7183 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8374 -2.5196 0.6437 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6033 0.2227 1.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5017 -0.3973 -0.6067 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8957 2.9244 -0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 4 5 1 0 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 4 22 1 0 5 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