HMDB0038751 RDKit 3D Avenic acid B 30 29 0 0 0 0 0 0 0 0999 V2000 2.6796 1.7165 0.9569 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8666 1.0824 -0.1088 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7959 1.7152 -1.3380 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1735 -0.3838 -0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2826 -0.9052 -1.3303 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3024 -1.1468 0.8738 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8386 -1.1307 0.6165 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2106 0.1466 0.6129 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2645 0.0804 0.6245 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7902 -0.5773 -0.5932 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2602 -0.7138 -0.7251 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9938 0.4336 -0.7557 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7502 1.4488 0.8883 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8868 2.3817 0.9086 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0337 1.8395 1.1202 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6516 2.0781 -1.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2277 -0.4176 0.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0702 -0.2341 -2.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6778 -2.2170 0.8382 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5010 -0.7239 1.8989 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 -1.7252 1.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6122 -1.7543 -0.3018 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5052 0.6196 -0.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4907 -0.5165 1.5457 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3054 -1.5681 -0.7217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4380 0.0279 -1.4745 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4433 -1.2365 -1.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7153 -1.3810 0.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9074 0.3573 -1.0761 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4550 2.7040 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 9 13 1 0 13 14 2 0 13 15 1 0 3 16 1 0 4 17 1 0 5 18 1 0 6 19 1 0 6 20 1 0 7 21 1 0 7 22 1 0 8 23 1 0 9 24 1 0 10 25 1 0 10 26 1 0 11 27 1 0 11 28 1 0 12 29 1 0 15 30 1 0 M END