HMDB0094799 RDKit 3D 5,7-octadienoylglycine 29 28 0 0 0 0 0 0 0 0999 V2000 -4.8618 1.3155 1.8058 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3494 0.7522 0.7357 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0331 0.1372 0.7105 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5482 -0.4199 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1911 -1.0546 -0.4093 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3889 -0.3268 -1.4344 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0091 -0.8181 -1.6152 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8657 -0.7569 -0.4396 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5416 -1.4558 0.7033 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9352 -0.0531 -0.4463 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7991 0.0253 0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9096 1.4151 1.1908 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2838 2.3351 0.6046 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6789 1.7421 2.2754 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3414 1.3641 2.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8407 1.7488 1.7457 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9224 0.7320 -0.1957 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4215 0.1262 1.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1414 -0.4210 -1.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3643 -2.1250 -0.6652 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7471 -1.0396 0.6004 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4439 0.7561 -1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9089 -0.4547 -2.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4571 -0.2242 -2.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 -1.8569 -2.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2485 -2.4086 0.7483 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4043 -0.5795 1.5651 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7886 -0.4222 0.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6566 1.9673 2.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 2 3 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 2 17 1 0 3 18 1 0 4 19 1 0 5 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