HMDB0031874 RDKit 3D N-gamma-Glutamyl-S-allylcysteine 37 36 0 0 0 0 0 0 0 0999 V2000 -6.0415 -0.1019 -1.1284 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0290 0.1643 -0.2958 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9000 -0.5726 0.9721 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4346 -1.4976 1.1657 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8897 -0.7379 1.4587 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3964 0.0274 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1798 0.5887 0.4473 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9966 1.1316 0.7251 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3280 2.0761 1.5321 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2348 0.5961 -0.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4867 0.7384 0.7759 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7049 0.3201 -0.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6450 -0.9900 -0.5139 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0565 1.3998 -0.9743 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1924 2.5455 -0.3510 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2137 1.2598 -2.2843 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3942 -1.0372 -0.8587 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3805 -1.4059 -1.4476 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6035 -1.6722 -1.1861 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7851 -0.8559 -0.8926 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1292 0.4439 -2.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3531 0.9349 -0.5826 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1265 0.1276 1.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7785 -1.3198 1.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9087 0.0873 2.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0602 -1.4359 1.7674 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2754 0.7419 0.0489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 1.5058 1.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0700 -0.4580 -0.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2438 1.1817 -0.9531 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5440 0.2167 1.7398 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6377 1.8292 1.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6049 0.3149 0.7132 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0733 -1.0906 -1.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3572 -1.6725 0.2155 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8234 1.8275 -2.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7431 -2.6738 -1.0935 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 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 2 0 14 16 1 0 6 17 1 0 17 18 2 0 17 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 5 25 1 0 5 26 1 0 6 27 1 0 7 28 1 0 10 29 1 0 10 30 1 0 11 31 1 0 11 32 1 0 12 33 1 0 13 34 1 0 13 35 1 0 16 36 1 0 19 37 1 0 M END