HMDB0029842 RDKit 3D Betalamic acid 24 24 0 0 0 0 0 0 0 0999 V2000 3.3806 -2.5624 1.8996 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7712 -1.5507 1.3824 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5991 -1.8638 0.5878 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9188 -0.9091 0.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2885 0.4821 0.1525 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3773 1.4591 -0.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7381 2.8610 0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9424 3.1348 0.3898 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1924 3.8568 -0.1313 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9271 1.0326 -0.4005 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3754 -0.3262 -0.2379 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6605 -0.5469 -0.8933 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2466 0.3696 -1.5026 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2682 -1.7982 -0.8530 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2861 -1.2585 -0.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1511 -0.5643 1.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2962 -2.9285 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2950 0.7389 0.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1373 4.6734 0.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5659 1.7893 -0.7961 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4837 -0.6128 0.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8849 -2.0817 -0.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1276 -1.0940 -1.8699 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6023 -2.3007 -0.6578 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 7 9 1 0 6 10 1 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 11 15 1 0 15 4 1 0 2 16 1 0 3 17 1 0 5 18 1 0 9 19 1 0 10 20 1 0 11 21 1 0 14 22 1 0 15 23 1 0 15 24 1 0 M END