Mol:FL3FAAGS0043
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 36 39 0 0 0 0 0 0 0 0999 V2000 0.6069 0.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6069 -0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1632 -0.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7195 -0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7195 0.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1632 0.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2758 -0.8827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8321 -0.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8321 0.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2758 0.4020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2758 -1.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3882 0.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9551 0.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5221 0.4019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5221 1.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9551 1.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3882 1.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0508 0.4019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0889 1.3838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1632 -1.3839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7210 -0.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2005 -0.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7659 -0.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1399 -0.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4535 -0.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9749 0.0136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6142 -0.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0889 -0.4348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4435 -0.7083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7813 -1.0339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7210 -0.6019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4026 0.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4026 0.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9093 0.0057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6507 0.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4476 0.3960 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 1 18 1 0 0 0 0 15 19 1 0 0 0 0 20 3 1 0 0 0 0 21 18 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 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 21 31 2 0 0 0 0 21 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 34 25 1 0 0 0 0 27 35 1 0 0 0 0 35 36 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 35 36 M SBL 1 1 38 M SMT 1 ^CH2OH M SBV 1 38 -8.0055 5.0580 S SKP 8 ID FL3FAAGS0043 KNApSAcK_ID C00004181 NAME Apigenin 7-(2''-glucosyllactate) CAS_RN 126394-94-3 FORMULA C24H24O12 EXACTMASS 504.126776232 AVERAGEMASS 504.44016 SMILES C(=O)(C=1)c(c3O)c(cc(OC(C(C)OC(C(O)4)OC(C(O)C(O)4)CO)=O)c3)OC1c(c2)ccc(c2)O M END