KEGG:C08263 beta-Alaninebetaine ISISHOST03240423192D 1 1.00000 0.00000 7306 9 8 0 0 0 999 V2000 0.8759 -0.1345 0.0000 N 0 3 3 0 0 0 0 0 0 0.1586 0.2759 0.0000 C 0 0 0 0 0 0 0 0 0 0.8724 -0.9621 0.0000 C 0 0 0 0 0 0 0 0 0 1.5931 0.2828 0.0000 C 0 0 0 0 0 0 0 0 0 1.5931 -0.5517 0.0000 C 0 0 0 0 0 0 0 0 0 -0.5586 -0.1379 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2759 0.2724 0.0000 C 0 0 0 0 0 0 0 0 0 -1.2690 1.1000 0.0000 O 0 0 0 0 0 0 0 0 0 -1.9862 -0.1448 0.0000 O 0 5 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 1 0 0 0 1 5 1 0 0 0 2 6 1 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 7 9 1 0 0 0 M CHG 2 1 1 9 -1 M END