HMDB0094730 RDKit 3D 4-Hepteneoylglycine 28 27 0 0 0 0 0 0 0 0999 V2000 -4.4071 1.1528 0.7107 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7673 0.2970 -0.3553 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3827 -0.0723 -0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3835 0.2642 -0.8536 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0409 -0.1081 -0.5622 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 -0.8821 0.7009 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5614 -1.2399 1.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7512 -2.2522 2.0289 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6347 -0.8329 0.5462 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0396 0.0834 -0.3973 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5444 -0.0224 -0.6437 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2451 -0.8544 -0.0317 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0728 0.8389 -1.5645 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9988 0.9481 1.7192 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2617 2.2281 0.4766 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4971 0.9406 0.7140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3419 -0.6427 -0.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7861 0.8874 -1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2018 -0.6456 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5870 0.8280 -1.7484 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4408 -0.7202 -1.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 0.8340 -0.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1542 -0.1957 1.5493 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 -1.7728 0.7329 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -1.9467 2.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6194 0.0015 -1.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8689 1.1688 -0.0986 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4571 1.7154 -1.2599 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 7 8 1 0 7 9 2 3 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 1 14 1 0 1 15 1 0 1 16 1 0 2 17 1 0 2 18 1 0 3 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 6 23 1 0 6 24 1 0 8 25 1 0 10 26 1 0 10 27 1 0 13 28 1 0 M END