Mol:FL3FCECS0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 -1.1371 -0.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1371 -0.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5808 -1.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0245 -0.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0245 -0.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5808 0.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5318 -1.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0881 -0.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0881 -0.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5318 0.1086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5318 -1.6770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5808 -1.8183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7680 0.2116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 -0.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9404 0.2116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9404 0.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 1.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7680 0.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6905 -1.0995 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1748 -1.6770 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6592 -1.3676 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9580 -1.4501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4530 -0.9963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0098 -1.2645 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2407 -1.4172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8172 -1.7595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3498 -1.9034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3542 1.9034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1917 -0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1501 -0.2157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4943 0.4062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9942 1.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5262 1.2267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2407 0.8142 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 21 27 1 0 0 0 0 17 28 1 0 0 0 0 24 29 1 0 0 0 0 29 30 1 0 0 0 0 1 31 1 0 0 0 0 31 32 1 0 0 0 0 16 33 1 0 0 0 0 33 34 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 29 30 M SBL 3 1 32 M SMT 3 CH2OH M SVB 3 32 -3.1917 -0.5013 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 33 34 M SBL 2 1 36 M SMT 2 OCH3 M SVB 2 36 3.5262 1.2267 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 34 M SMT 1 OCH3 M SVB 1 34 -1.4943 0.4062 S SKP 8 ID FL3FCECS0001 KNApSAcK_ID C00006144 NAME 6-C-Glucopyranosylpilloin;Pilloin 6-C-beta-D-glucoside;6-beta-D-Glucopyranosyl-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one CAS_RN 135625-46-6 FORMULA C23H24O11 EXACTMASS 476.13186161 AVERAGEMASS 476.43006 SMILES C(C(=O)2)=C(Oc(c3)c2c(O)c([C@H](O4)[C@@H](O)[C@H]([C@H](C4CO)O)O)c3OC)c(c1)ccc(c1O)OC M END
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