Mol:FL3FAACS0088
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 37 0 0 0 0 0 0 0 0999 V2000 0.6969 -0.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0176 -0.4389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7321 -0.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7321 -1.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0176 -2.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6969 -1.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4465 -0.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1610 -0.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1610 -1.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4465 -2.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0176 -2.6610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4983 -0.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2127 -0.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9272 -0.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9272 0.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2127 0.8488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4983 0.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6106 0.8309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4465 -2.8589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8515 -0.4528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 2.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4486 1.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9361 0.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8249 0.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3363 0.8327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8486 1.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3753 1.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5967 2.5456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4486 2.2571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3753 2.4713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7179 0.9854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1316 2.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4790 2.8589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6106 1.9805 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 29 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 S SKP 8 ID FL3FAACS0088 KNApSAcK_ID C00014089 NAME Vitexin 3''-O-acetate CAS_RN 439692-86-1 FORMULA C23H22O11 EXACTMASS 474.116211546 AVERAGEMASS 474.41418000000004 SMILES c(O)(c(C(C4O)OC(C(O)C(OC(C)=O)4)CO)3)cc(O)c(c23)C(C=C(O2)c(c1)ccc(c1)O)=O M END