Mol:FL3FDCCS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 1.3251 0.6137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3251 -0.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0396 -0.6238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7541 -0.2113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7541 0.6137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0396 1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5714 -0.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -0.2339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8575 -0.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8575 -1.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -1.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5714 -1.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5720 -0.2339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2864 -0.6464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2864 -1.4714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5720 -1.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9575 -0.2590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5720 -2.6234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -2.4560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3655 0.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5556 -0.6741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2758 -3.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5556 -0.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6208 2.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2588 2.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9225 1.3546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0171 0.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3791 1.0582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7153 1.8119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1629 2.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9677 2.5807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1763 3.0298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1063 2.6774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5818 1.4196 0.0000 O 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 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 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 10 1 0 0 0 0 14 17 1 0 0 0 0 16 18 1 0 0 0 0 11 19 2 0 0 0 0 5 20 1 0 0 0 0 4 21 1 0 0 0 0 18 22 1 0 0 0 0 17 23 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 24 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 24 32 1 0 0 0 0 25 33 1 0 0 0 0 26 34 1 0 0 0 0 13 27 1 0 0 0 0 S SKP 8 ID FL3FDCCS0001 KNApSAcK_ID C00014018 NAME Parkinsonin B;2-(3,4-dihydroxyphenyl)-8-alpha-D-Glucopyranosyl-5,7-dimethoxy-4H-1-benzopyran-4-one CAS_RN 6980-22-9 FORMULA C23H24O11 EXACTMASS 476.13186161 AVERAGEMASS 476.43006 SMILES OC(C1O)C(C(c(c(OC)4)c(c(c(OC)c4)3)OC(=CC(=O)3)c(c2)ccc(c2O)O)OC1CO)O M END