Mol:FL3FEAGS0048
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -2.6290 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6290 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9145 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2001 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2001 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9145 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4856 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2289 -0.6279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2289 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4856 0.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9434 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6578 0.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3723 0.6096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3723 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6578 1.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9434 1.4346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4856 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9145 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1186 1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3486 0.5440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3159 -1.0245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0262 -0.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6621 -0.8663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4558 -0.6400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4472 0.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8604 0.8996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 0.6734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0752 -0.1518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4688 -0.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0833 -0.5595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0132 -1.4526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0953 -1.0121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0262 -0.1368 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 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 7 17 2 0 0 0 0 3 18 1 0 0 0 0 14 19 1 0 0 0 0 20 1 1 0 0 0 0 2 21 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 1 0 0 0 24 25 1 1 0 0 0 26 25 1 1 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 23 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 25 33 1 0 0 0 0 26 19 1 0 0 0 0 S SKP 8 ID FL3FEAGS0048 KNApSAcK_ID C00013635 NAME Hispidulin 4'-glucoside;2-[4-(beta-D-Glucopyranosyloxy)phenyl]-5,7-dihydroxy-6-methoxy-4H-1-benzopyran-4-one CAS_RN 244285-12-9 FORMULA C22H22O11 EXACTMASS 462.116211546 AVERAGEMASS 462.40348000000006 SMILES O=C(c43)C=C(Oc(cc(O)c(c4O)OC)3)c(c1)ccc(OC(C(O)2)OC(CO)C(O)C2O)c1 M END