Mol:FL3FEAGS0040
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 3.1700 0.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8045 1.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8045 1.7370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1700 2.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5354 1.7370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5354 1.0043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2976 2.0217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8882 0.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2413 1.0040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5944 0.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5944 -0.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2413 -0.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8882 -0.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0621 1.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7187 0.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7187 -0.1276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0621 -0.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2413 -0.9814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1671 -0.5759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0621 -1.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8535 -1.5533 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1288 -1.9475 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5572 -1.3526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7622 -1.1320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4869 -0.7378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0586 -1.3326 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1531 -1.7983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8501 -2.1033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2976 -1.2671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2524 -0.4928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2087 -0.2003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4088 0.4457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8212 1.1601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 8 2 0 0 0 0 10 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 11 1 0 0 0 0 12 18 2 0 0 0 0 16 19 1 0 0 0 0 17 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 19 24 1 0 0 0 0 23 27 1 0 0 0 0 22 28 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 15 32 1 0 0 0 0 32 33 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 30 31 M SBL 2 1 33 M SMT 2 CH2OH M SVB 2 33 -3.2524 -0.4928 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 32 33 M SBL 1 1 35 M SMT 1 OCH3 M SVB 1 35 -1.0759 1.2493 S SKP 8 ID FL3FEAGS0040 KNApSAcK_ID C00010275 NAME Scutellarein 7-methyl ether 6-galactoside CAS_RN 107194-92-3 FORMULA C22H22O11 EXACTMASS 462.116211546 AVERAGEMASS 462.40348000000006 SMILES O[C@@H]([C@H]1O)[C@H](Oc(c4O)c(OC)cc(c24)OC(c(c3)ccc(c3)O)=CC(=O)2)OC(CO)[C@@H]1O M END