HMDB0038576 RDKit 3D Avenanthramide C 36 37 0 0 0 0 0 0 0 0999 V2000 -1.1826 0.9748 -2.1829 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7029 0.5428 -1.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7623 0.5467 -1.0429 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4628 0.1331 -0.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9341 0.1462 0.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7432 0.5926 -0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1371 0.5775 -0.8443 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7461 0.1123 0.3002 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1386 0.1062 0.4015 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9356 -0.3364 1.3173 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5029 -0.8128 2.4860 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5535 -0.3184 1.1885 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5169 0.0803 -0.0740 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9089 0.0589 -0.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6202 0.7281 -1.0587 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0188 0.7513 -1.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7221 0.1147 -0.0721 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1246 0.1342 -0.0489 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0167 -0.5497 0.8873 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6229 -0.5864 0.8895 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0216 -1.3605 1.9415 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7955 -1.9122 2.8127 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6899 -1.6086 2.1599 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3232 0.9259 -1.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8971 -0.2434 0.8442 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3039 0.9631 -1.8757 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7635 0.9317 -1.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7198 0.4367 -0.3486 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4805 -0.8567 2.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9099 -0.6786 2.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0446 -0.2583 0.8114 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1979 1.2709 -1.8613 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5720 1.2795 -1.8065 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6288 0.6306 -0.7665 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6154 -1.0534 1.6573 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3115 -1.4627 3.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 10 12 2 0 2 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 21 23 1 0 12 5 1 0 20 14 1 0 3 24 1 0 4 25 1 0 6 26 1 0 7 27 1 0 9 28 1 0 11 29 1 0 12 30 1 0 13 31 1 0 15 32 1 0 16 33 1 0 18 34 1 0 19 35 1 0 23 36 1 0 M END