Mol:FL5F1AGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -3.6652 -0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6652 -0.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1089 -1.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5526 -0.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5526 -0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1089 -0.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9963 -1.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 -0.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 -0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9963 -0.0135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9963 -1.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8839 -0.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3169 -0.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -0.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 0.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3169 0.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8839 0.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9120 -1.2818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1761 -0.0397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7962 0.9890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8416 1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 0.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1995 1.0220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9494 0.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3372 1.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5917 1.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1217 1.2874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8986 1.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8965 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4616 0.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1761 0.4231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 18 8 1 0 0 0 0 1 19 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 26 28 1 0 0 0 0 25 29 1 0 0 0 0 22 20 1 0 0 0 0 20 15 1 0 0 0 0 24 30 1 0 0 0 0 30 31 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 33 M SMT 1 CH2OH M SBV 1 33 -5.0670 3.2602 S SKP 8 ID FL5F1AGS0002 KNApSAcK_ID C00005129 NAME Resokaempferol 4'-glucoside CAS_RN 24502-04-3 FORMULA C21H20O10 EXACTMASS 432.10564686 AVERAGEMASS 432.37749999999994 SMILES c(c3)(ccc(OC(O4)C(O)C(O)C(O)C4CO)c3)C(=C2O)Oc(c1)c(C2=O)ccc(O)1 M END