Mol:FL3FF9GS0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -0.3021 0.9109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3021 0.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1490 0.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6001 0.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6001 0.8696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1490 1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0511 0.0883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5022 0.3488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5022 0.8696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0511 1.1300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0511 -0.3178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9531 1.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4128 0.8645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8725 1.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8725 1.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4128 1.9262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9531 1.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1490 -0.4314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7633 1.1772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2960 -0.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7804 -1.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0379 -1.2120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3214 -1.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8421 -0.6835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6005 -0.9559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8725 -1.1530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5842 -1.5399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6125 -1.9262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1490 1.7671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8961 -0.1485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1816 -0.5610 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 3 18 1 0 0 0 0 19 1 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 18 1 0 0 0 0 6 29 1 0 0 0 0 25 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 -8.0143 7.6065 S SKP 8 ID FL3FF9GS0007 KNApSAcK_ID C00004484 NAME 5,7,8-Trihydroxyflavone 5-glucoside CAS_RN 151261-87-9 FORMULA C21H20O10 EXACTMASS 432.10564686 AVERAGEMASS 432.37749999999994 SMILES C(C1Oc(c42)cc(c(O)c2OC(=CC4=O)c(c3)cccc3)O)(O)C(O)C(O)C(O1)CO M END