Mol:PR100649
From Metabolomics.JP
ISISHOST11090423132D 1 1.00000 0.00000 3983 31 34 0 1 0 999 V2000 19.5895 -47.5358 0.0000 O 0 0 0 0 0 0 0 0 0 18.9413 -47.9116 0.0000 C 0 0 2 0 0 0 0 0 0 18.2826 -47.5358 0.0000 O 0 0 0 0 0 0 0 0 0 18.9413 -48.6703 0.0000 C 0 0 1 0 0 0 0 0 0 17.6344 -47.9116 0.0000 C 0 0 1 0 0 0 0 0 0 18.2826 -49.0531 0.0000 C 0 0 2 0 0 0 0 0 0 19.5895 -49.0427 0.0000 O 0 0 0 0 0 0 0 0 0 17.6344 -48.6703 0.0000 C 0 0 2 0 0 0 0 0 0 16.9826 -47.5358 0.0000 C 0 0 0 0 0 0 0 0 0 18.2826 -49.8048 0.0000 O 0 0 0 0 0 0 0 0 0 16.9826 -49.0427 0.0000 O 0 0 0 0 0 0 0 0 0 16.3311 -47.9123 0.0000 O 0 0 0 0 0 0 0 0 0 21.5523 -47.9112 0.0000 C 0 0 0 0 0 0 0 0 0 21.5523 -48.6698 0.0000 C 0 0 0 0 0 0 0 0 0 22.2143 -47.5319 0.0000 O 0 0 0 0 0 0 0 0 0 20.8971 -47.5284 0.0000 C 0 0 0 0 0 0 0 0 0 22.2109 -49.0560 0.0000 C 0 0 0 0 0 0 0 0 0 20.8971 -49.0457 0.0000 C 0 0 0 0 0 0 0 0 0 22.8799 -47.9078 0.0000 C 0 0 0 0 0 0 0 0 0 20.2454 -47.9112 0.0000 C 0 0 0 0 0 0 0 0 0 22.8730 -48.6767 0.0000 C 0 0 0 0 0 0 0 0 0 22.2074 -49.8078 0.0000 O 0 0 0 0 0 0 0 0 0 20.2454 -48.6698 0.0000 C 0 0 0 0 0 0 0 0 0 20.8936 -49.7974 0.0000 O 0 0 0 0 0 0 0 0 0 23.5281 -47.5353 0.0000 C 0 0 0 0 0 0 0 0 0 23.5281 -46.7836 0.0000 C 0 0 0 0 0 0 0 0 0 24.1730 -47.9078 0.0000 C 0 0 0 0 0 0 0 0 0 24.1764 -46.4043 0.0000 C 0 0 0 0 0 0 0 0 0 24.8247 -47.5353 0.0000 C 0 0 0 0 0 0 0 0 0 24.8247 -46.7871 0.0000 C 0 0 0 0 0 0 0 0 0 25.4764 -46.4147 0.0000 O 0 0 0 0 0 0 0 0 0 5 8 1 0 0 0 5 9 1 1 0 0 6 10 1 1 0 0 8 11 1 6 0 0 6 8 1 0 0 0 9 12 1 0 0 0 2 1 1 1 0 0 2 3 1 0 0 0 2 4 1 0 0 0 3 5 1 0 0 0 4 6 1 0 0 0 4 7 1 6 0 0 13 14 1 0 0 0 13 15 1 0 0 0 13 16 2 0 0 0 14 17 1 0 0 0 14 18 2 0 0 0 15 19 1 0 0 0 16 20 1 0 0 0 17 21 1 0 0 0 17 22 2 0 0 0 18 23 1 0 0 0 18 24 1 0 0 0 19 25 1 0 0 0 25 26 1 0 0 0 25 27 2 0 0 0 26 28 2 0 0 0 27 29 1 0 0 0 28 30 1 0 0 0 30 31 1 0 0 0 19 21 2 0 0 0 20 23 2 0 0 0 29 30 2 0 0 0 20 1 1 0 0 0 S SKP 7 CAS_RN 578-74-5 NAME apigenin-7-O-glucoside ID PR100649 FORMULA C21H20O10 EXACTMASS 432.10564686 AVERAGEMASS 432.37749999999994 SMILES OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1Oc(c4)cc(O2)c(c(O)4)C(=O)C=C(c(c3)ccc(O)c3)2 M END