Mol:FL5FAJGA0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 35 38 0 0 0 0 0 0 0 0999 V2000 -1.9855 -0.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3194 -0.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3194 0.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9855 0.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6516 0.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6516 -0.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6533 -0.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0128 -0.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0128 0.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6533 0.9142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7497 0.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3974 0.5811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0451 0.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0451 1.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3974 2.0769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7497 1.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3440 0.9294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9855 -1.3008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6533 -1.2028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3974 2.6924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6182 0.6242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6322 2.0419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6534 -0.6094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3440 2.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2990 -2.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5984 -2.6924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0068 -2.1317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8133 -1.9578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1127 -1.5221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4926 -2.0827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8678 -1.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3044 -1.6679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6590 -2.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0483 -2.6777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0114 -2.6897 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 2 0 0 0 0 9 10 1 0 0 0 0 10 3 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 5 17 1 0 0 0 0 1 18 1 0 0 0 0 7 19 2 0 0 0 0 15 20 1 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 8 23 1 0 0 0 0 22 24 1 0 0 0 0 25 26 1 1 0 0 0 26 27 1 1 0 0 0 28 27 1 1 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 25 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 25 33 1 0 0 0 0 26 34 1 0 0 0 0 27 35 1 0 0 0 0 23 28 1 0 0 0 0 S SKP 8 ID FL5FAJGA0002 KNApSAcK_ID C00011180 NAME Myricetin 4'-methyl ether 3-O-beta-D-galactopyranoside;2-(3,5-Dihydroxy-4-methoxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one CAS_RN 230283-36-0 FORMULA C22H22O13 EXACTMASS 494.10604078999995 AVERAGEMASS 494.40228 SMILES c(C(=O)1)(c4O)c(cc(c4)O)OC(c(c3)cc(c(OC)c(O)3)O)=C1OC(O2)C(O)C(C(C(CO)2)O)O M END