Mol:FL3FAACS0084
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 1.5834 0.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8689 0.5473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1545 0.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1545 -0.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8689 -1.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5834 -0.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 0.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2745 0.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2745 -0.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 -1.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8689 -1.6748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3848 0.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0992 0.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8137 0.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8137 1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0992 1.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3848 1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4972 1.8171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 -1.8727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9650 0.5334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0140 -0.3762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6013 -1.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8030 -0.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0095 -1.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4221 -0.3939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2205 -0.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3774 -0.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4972 -0.8594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0500 -0.8319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9745 -1.5217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1113 0.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3489 1.1582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5238 1.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1114 1.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 1 0 0 0 0 6 1 2 0 0 0 0 3 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 4 1 0 0 0 0 5 11 2 0 0 0 0 1 12 1 0 0 0 0 12 13 2 0 0 0 0 13 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 12 1 0 0 0 0 15 18 1 0 0 0 0 10 19 1 0 0 0 0 8 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 26 27 1 0 0 0 0 27 31 1 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 24 9 1 0 0 0 0 31 33 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 S SKP 8 ID FL3FAACS0084 KNApSAcK_ID C00014085 NAME Isovitexin 6''-O-acetyl CAS_RN - FORMULA C23H22O11 EXACTMASS 474.116211546 AVERAGEMASS 474.41418000000004 SMILES O(C(C)=O)CC(O1)C(C(O)C(C(c(c(O)4)c(O)cc(c24)OC(c(c3)ccc(c3)O)=CC(=O)2)1)O)O M END