Mol:FL3FAECS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.3489 0.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3489 -0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7926 -0.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2363 -0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2363 0.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7926 0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3201 -0.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8764 -0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8764 0.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3201 0.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3201 -1.3813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7926 -1.5226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5562 0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1424 0.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7286 0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7286 1.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1424 1.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5562 1.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9022 -0.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3866 -1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8710 -1.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1697 -1.1544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6647 -0.7007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2216 -0.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9022 -0.1425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0290 -1.4638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9050 0.4041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4522 -0.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3145 0.1690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3145 1.5224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0290 1.1099 0.0000 C 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 3 12 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 9 13 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 1 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 2 22 1 0 0 0 0 1 27 1 0 0 0 0 24 28 1 0 0 0 0 15 29 1 0 0 0 0 16 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 OCH3 M SBV 1 33 -5.8120 7.0213 S SKP 8 ID FL3FAECS0003 KNApSAcK_ID C00006136 NAME Torosaflavone B;6-(2,6-Dideoxy-beta-D-lyxo-hexopyranosyl)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one CAS_RN 124961-71-3 FORMULA C22H22O9 EXACTMASS 430.126382302 AVERAGEMASS 430.40468000000004 SMILES C(C(=O)3)=C(c(c4)ccc(c4O)OC)Oc(c31)cc(c(C(C2)OC(C)C(O)C(O)2)c(O)1)O M END