HMDB0094797 RDKit 3D 4,7-octadienoylglycine 29 28 0 0 0 0 0 0 0 0999 V2000 -4.5258 -0.4326 -0.1102 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8594 -1.1309 -1.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3966 -1.0365 -1.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8152 -0.1174 -0.0837 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1064 0.9417 -0.4262 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5085 1.8847 0.5468 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9915 1.8965 0.3533 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6077 0.5751 0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4761 -0.0439 1.7823 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2613 -0.0077 -0.3745 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8882 -1.2962 -0.2436 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3632 -1.0842 -0.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1120 -2.0940 -0.3070 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9360 0.1392 -0.6050 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6173 -0.4778 -0.0251 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0424 0.2307 0.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4102 -1.7642 -1.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9722 -2.0735 -0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1278 -0.7246 -2.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9760 -0.3195 0.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9538 1.1310 -1.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7962 1.6659 1.5773 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8613 2.9120 0.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4685 2.5981 1.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2093 2.2506 -0.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0023 -0.9387 1.7971 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5076 -2.0214 -0.9851 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6489 -1.6864 0.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4967 1.0241 -0.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 2 3 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 2 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 5 21 1 0 6 22 1 0 6 23 1 0 7 24 1 0 7 25 1 0 9 26 1 0 11 27 1 0 11 28 1 0 14 29 1 0 M END