Mol:FL3FAAGS0003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -0.6475 0.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6475 -0.3613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 -0.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3534 -0.3613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3534 0.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 0.5055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8539 -0.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3543 -0.3613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3543 0.2166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8539 0.5055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8544 0.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3848 0.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9151 0.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9151 1.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3848 1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8544 1.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 -1.2277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0734 0.6425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8539 -1.2274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4450 1.4236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9575 -0.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4521 -1.3614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8311 -1.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1164 -1.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6218 -0.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2428 -0.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4146 -1.4239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1019 -1.3614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4450 -1.1374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2949 -0.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0917 -0.2440 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 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 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 11 1 0 0 0 0 3 17 1 0 0 0 0 1 18 1 0 0 0 0 7 19 2 0 0 0 0 14 20 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 26 1 0 0 0 0 26 21 1 0 0 0 0 23 27 1 0 0 0 0 22 28 1 0 0 0 0 24 2 1 0 0 0 0 21 29 1 0 0 0 0 26 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 -7.5119 4.6369 S SKP 8 ID FL3FAAGS0003 KNApSAcK_ID C00001059 NAME Isovitexin;6-beta-D-Glucopyranosyl-4',5,7-trihydroxyflavone;Homovitexin;6-C-beta-D-Glucopyranosylapigenin;Saponaretin;6-beta-D-Glucopyranosyl-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one CAS_RN 38953-85-4 FORMULA C21H20O10 EXACTMASS 432.10564686 AVERAGEMASS 432.37749999999994 SMILES Oc(c1)ccc(C(=C4)Oc(c3)c(C(=O)4)c(c(c(O)3)C(C(O)2)OC(CO)C(O)C2O)O)c1 M END
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