Mol:FL3FAACS0089
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 0.3173 -1.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3972 -0.7580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1116 -1.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1116 -1.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3972 -2.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3173 -1.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8261 -0.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5406 -1.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5406 -1.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8261 -2.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3972 -2.9801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1187 -0.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8331 -1.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5476 -0.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5476 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8331 0.5297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1187 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2311 0.5118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8261 -3.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2311 -0.7719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3396 1.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8281 1.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3157 0.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2045 -0.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7159 0.5136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2282 1.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7549 1.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9763 2.2265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8281 1.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7549 2.1522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0975 0.6663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7549 2.8297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1517 3.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2572 3.1197 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 30 1 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 7 24 1 0 0 0 0 31 23 1 0 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 S SKP 8 ID FL3FAACS0089 KNApSAcK_ID C00014090 NAME Vitexin 6''-O-acetate;Psilosin CAS_RN 156790-77-1 FORMULA C23H22O11 EXACTMASS 474.116211546 AVERAGEMASS 474.41418000000004 SMILES C(=C2)(Oc(c(C(C(O)4)OC(COC(C)=O)C(C(O)4)O)3)c(c(O)cc(O)3)C2=O)c(c1)ccc(c1)O M END