HMDB0029286 RDKit 3D Avenanthramide 2s 43 44 0 0 0 0 0 0 0 0999 V2000 3.9655 3.2888 1.6018 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7923 2.2443 1.1231 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1621 1.1201 0.6081 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7879 0.9984 0.5524 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1493 -0.1178 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6873 -0.1842 0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0004 -1.1870 -0.4489 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4527 -1.2999 -0.5005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9121 -2.3774 -0.9949 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2521 -0.2422 -0.0150 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6690 -0.2948 -0.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3670 -1.4626 -0.2668 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7657 -1.5424 -0.2289 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4803 -0.4171 0.0552 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8732 -0.4764 0.0983 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7971 0.7424 0.2903 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3975 0.8615 0.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8139 2.1538 0.4909 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6032 3.1301 0.7581 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4993 2.4573 0.4541 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9405 -1.1311 -0.4234 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3376 -1.0253 -0.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1537 -2.0408 -0.8404 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5689 -3.2118 -1.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9534 0.0938 0.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3278 0.2187 0.1949 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4516 3.8236 0.7841 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6208 3.9798 2.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2486 2.8321 2.3312 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1780 1.8022 0.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1335 0.6824 0.4074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5729 -2.0403 -0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7481 0.5870 0.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8972 -2.4059 -0.4858 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2803 -2.4731 -0.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3599 -0.2926 -0.7833 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3628 1.6484 0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0393 3.2258 0.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5347 -2.0276 -0.8342 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7813 -3.6374 -0.7077 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0956 -3.0429 -2.3613 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3605 -3.9908 -1.5423 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7660 1.0310 0.5671 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 14 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 20 1 0 5 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 22 25 2 0 25 26 1 0 25 3 1 0 17 11 1 0 1 27 1 0 1 28 1 0 1 29 1 0 4 30 1 0 6 31 1 0 7 32 1 0 10 33 1 0 12 34 1 0 13 35 1 0 15 36 1 0 16 37 1 0 20 38 1 0 21 39 1 0 24 40 1 0 24 41 1 0 24 42 1 0 26 43 1 0 M END