HMDB0029285 RDKit 3D Avenanthramide 1s 42 43 0 0 0 0 0 0 0 0999 V2000 4.5407 3.0796 -1.2433 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0790 1.8326 -0.8618 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 0.7849 -0.4791 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8887 0.9878 -0.4776 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0018 0.0070 -0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5614 0.2327 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 1.3468 -0.4526 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4371 1.5637 -0.4533 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8394 2.6975 -0.8033 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3284 0.5381 -0.0751 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7404 0.5929 -0.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4116 1.6368 -0.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8073 1.6803 -0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5615 0.6992 -0.0864 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9046 -0.3313 0.5236 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4937 -0.3906 0.5561 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8916 -1.5006 1.2688 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6885 -1.7266 1.4626 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7453 -2.4966 1.8453 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5436 -1.2174 0.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8942 -1.4732 0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3798 -2.6897 0.6520 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6356 -3.7959 1.0505 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7314 -0.4504 -0.0979 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1002 -0.6563 -0.0979 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9357 3.4395 -0.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8336 2.9421 -2.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3203 3.8118 -1.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5411 1.9694 -0.7816 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0499 -0.6322 0.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6358 2.1738 -0.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9115 -0.4084 0.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8795 2.4350 -1.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3254 2.4992 -1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6643 0.7363 -0.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4668 -1.1372 1.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3939 -2.9317 1.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8297 -1.9886 0.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2969 -4.5497 1.5336 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1890 -4.2498 0.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8365 -3.5181 1.7704 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5040 -1.5426 0.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 19 1 0 5 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 21 24 2 0 24 25 1 0 24 3 1 0 16 11 1 0 1 26 1 0 1 27 1 0 1 28 1 0 4 29 1 0 6 30 1 0 7 31 1 0 10 32 1 0 12 33 1 0 13 34 1 0 14 35 1 0 15 36 1 0 19 37 1 0 20 38 1 0 23 39 1 0 23 40 1 0 23 41 1 0 25 42 1 0 M END