Mol:FL3F1AGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -3.7041 0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7041 -0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1478 -0.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5915 -0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5915 0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1478 0.3269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0352 -0.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4789 -0.6367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4789 0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0352 0.3269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0352 -1.4587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9228 0.3267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3558 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2112 0.3267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2112 0.9814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3558 1.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9228 0.9814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2602 0.3267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 1.3087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1328 1.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5962 0.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3550 0.8715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0143 0.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5511 1.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7922 1.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6361 1.4082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2186 1.4587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1273 0.6996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5457 0.5275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2602 0.1150 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 21 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 21 19 1 0 0 0 0 20 26 1 0 0 0 0 25 27 1 0 0 0 0 24 28 1 0 0 0 0 23 29 1 0 0 0 0 29 30 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 29 30 M SBL 1 1 32 M SMT 1 CH2OH M SBV 1 32 -5.1898 3.2963 S SKP 8 ID FL3F1AGS0002 KNApSAcK_ID C00004117 NAME Sophoraflavone B CAS_RN 22052-75-1 FORMULA C21H20O9 EXACTMASS 416.11073223799997 AVERAGEMASS 416.37809999999996 SMILES c(c1C(=C4)Oc(c3C(=O)4)cc(O)cc3)cc(OC(O2)C(O)C(O)C(O)C2CO)cc1 M END