HMDB0094763 RDKit 3D 5-hydroxyoct-5-enoylglycine 32 31 0 0 0 0 0 0 0 0999 V2000 -5.8141 0.3784 0.3592 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7248 -0.4245 -0.3217 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4396 -0.1731 0.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3824 0.3455 -0.2255 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5249 0.6543 -1.5768 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1516 0.5632 0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0342 -0.1972 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2207 0.1351 0.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4534 -0.5454 0.4453 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4902 -1.9195 0.4063 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4913 0.1176 0.1091 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7328 -0.4442 -0.3192 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8497 0.4698 -0.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6205 1.5785 0.4774 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1625 0.1685 -0.3785 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7501 -0.1954 0.4635 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9388 1.3103 -0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4663 0.6252 1.4028 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9869 -1.4841 -0.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6090 -0.1057 -1.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4078 -0.4445 1.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9302 1.3621 -1.9815 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9065 1.6521 0.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2966 0.2119 1.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2666 0.2668 -1.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1593 -1.2667 -0.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3158 1.2322 0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9075 -0.1690 1.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4933 -2.4727 -0.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9224 -1.3728 0.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -0.7535 -1.3836 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7783 0.8968 -0.6893 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 4 6 1 0 6 7 1 0 7 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 5 22 1 0 6 23 1 0 6 24 1 0 7 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