Mol:FL3FAACS0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -0.9916 0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9916 -0.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4353 -0.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -0.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4353 0.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6773 -0.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2336 -0.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2336 0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6773 0.4341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6773 -1.3514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4353 -1.4927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9134 0.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4996 0.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0859 0.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0859 1.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4996 1.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9134 1.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6717 1.5523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5450 -0.7739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0294 -1.3514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5137 -1.0420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7502 -1.0328 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3075 -0.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8644 -0.9389 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5167 -0.1585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6717 -1.4339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9596 -1.5525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5477 0.4340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6306 -0.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2306 0.4085 0.0000 O 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 16 19 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 2 23 1 0 0 0 0 1 29 1 0 0 0 0 25 30 1 0 0 0 0 30 31 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 33 M SMT 1 CH2OH M SVB 1 33 -2.6306 -0.3915 S SKP 8 ID FL3FAACS0008 KNApSAcK_ID C00006099 NAME 6-C-beta-D-Galactosylapigenin CAS_RN 70116-01-7 FORMULA C21H20O10 EXACTMASS 432.10564686 AVERAGEMASS 432.37749999999994 SMILES Oc(c1)ccc(C(=C4)Oc(c3)c(C(=O)4)c(c(c(O)3)[C@@H]([C@@H](O)2)OC(CO)[C@H](O)[C@@H]2O)O)c1 M END