KEGG:C00844 (R)-Prunasin ISISHOST03240423032D 1 1.00000 0.00000 802 22 23 0 1 0 999 V2000 -0.4897 -0.0759 0.0000 C 0 0 2 0 0 0 0 0 0 0.3034 0.3586 0.0000 O 0 0 0 0 0 0 0 0 0 -1.1483 0.3000 0.0000 O 0 0 0 0 0 0 0 0 0 -0.4897 -0.8276 0.0000 C 0 0 1 0 0 0 0 0 0 1.0207 -0.0034 0.0000 C 0 0 2 0 0 0 0 0 0 -1.7966 -0.0759 0.0000 C 0 0 1 0 0 0 0 0 0 -1.1483 -1.2000 0.0000 C 0 0 2 0 0 0 0 0 0 0.1586 -1.2000 0.0000 O 0 0 0 0 0 0 0 0 0 1.3724 0.6207 0.0000 C 0 0 0 0 0 0 0 0 0 1.6724 -0.3621 0.0000 C 0 0 0 0 0 0 0 0 0 -1.7966 -0.8276 0.0000 C 0 0 2 0 0 0 0 0 0 -2.4414 0.3000 0.0000 C 0 0 0 0 0 0 0 0 0 -1.1448 -1.9552 0.0000 O 0 0 0 0 0 0 0 0 0 0.9759 1.2690 0.0000 C 0 0 0 0 0 0 0 0 0 2.1276 0.6345 0.0000 C 0 0 0 0 0 0 0 0 0 2.3310 -0.7207 0.0000 N 0 0 0 0 0 0 0 0 0 -2.4414 -1.2000 0.0000 O 0 0 0 0 0 0 0 0 0 -3.0138 -0.1828 0.0000 O 0 0 0 0 0 0 0 0 0 1.3310 1.9276 0.0000 C 0 0 0 0 0 0 0 0 0 2.4862 1.3069 0.0000 C 0 0 0 0 0 0 0 0 0 2.1345 1.9138 0.0000 C 0 0 0 0 0 0 0 0 0 0.7172 -0.6897 0.0000 H 0 0 0 0 0 0 0 0 0 1 2 1 1 0 0 1 3 1 0 0 0 1 4 1 0 0 0 5 2 1 6 0 0 3 6 1 0 0 0 4 7 1 0 0 0 4 8 1 6 0 0 5 9 1 0 0 0 5 10 1 0 0 0 6 11 1 0 0 0 6 12 1 1 0 0 7 13 1 1 0 0 9 14 1 0 0 0 9 15 2 0 0 0 10 16 3 0 0 0 11 17 1 6 0 0 12 18 1 0 0 0 14 19 2 0 0 0 15 20 1 0 0 0 19 21 1 0 0 0 7 11 1 0 0 0 20 21 2 0 0 0 5 22 1 1 0 0 M END