HMDB0094805 RDKit 3D 6-octenoylglycine 31 30 0 0 0 0 0 0 0 0999 V2000 4.5196 1.1038 -0.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1495 -0.0558 -0.0371 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9054 -0.4462 0.1484 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7387 0.2455 -0.4914 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8014 0.7745 0.5884 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2892 -0.3342 1.4384 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4842 -1.3762 0.6787 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6702 -0.8420 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5369 0.1428 -0.9595 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8404 -1.2782 0.2823 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9973 -0.7505 -0.3873 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5796 0.3310 0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1046 0.6954 1.5406 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7217 0.9615 -0.0667 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2394 0.8769 -1.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5549 1.4156 -0.7395 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8777 1.9584 -0.5367 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9669 -0.5787 0.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7238 -1.3007 0.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1376 1.0632 -1.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 -0.4542 -1.1102 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0451 1.4398 0.1627 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4573 1.4402 1.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3808 0.1024 2.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1421 -0.7699 1.9968 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2244 -1.9026 -0.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7962 -2.1775 1.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6002 -0.1554 -1.9444 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7634 -0.3950 -1.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7554 -1.5469 -0.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6832 1.8130 -0.6121 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 3 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 2 3 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 5 22 1 0 5 23 1 0 6 24 1 0 6 25 1 0 7 26 1 0 7 27 1 0 9 28 1 0 11 29 1 0 11 30 1 0 14 31 1 0 M END