Mol:FL3FAACS0072
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 2.8813 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1669 0.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4524 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4524 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1669 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8813 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7379 0.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0234 0.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0234 -0.6809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7379 -1.0934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6476 0.5315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7379 -1.8329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1669 -1.6655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6830 -0.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2704 -1.0982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4721 -0.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6786 -1.1159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0911 -0.4011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8895 -0.6102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0525 -0.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3981 -0.0297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1662 -0.8667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7191 -0.8391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6435 -1.5290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6631 0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3775 0.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0920 0.5954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0920 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3775 1.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6631 1.4204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7072 1.7756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2240 0.2930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8114 -0.4217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0131 -0.2125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2196 -0.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6321 0.2754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4305 0.0663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5935 0.4472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9391 0.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7072 -0.1902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2601 -0.1626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1845 -0.8525 0.0000 O 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 8 11 1 0 0 0 0 10 12 1 0 0 0 0 5 13 2 0 0 0 0 14 15 1 1 0 0 0 15 16 1 1 0 0 0 17 16 1 1 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 14 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 14 22 1 0 0 0 0 15 23 1 0 0 0 0 16 24 1 0 0 0 0 9 17 1 0 0 0 0 1 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 25 1 0 0 0 0 28 31 1 0 0 0 0 32 33 1 1 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 32 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 32 40 1 0 0 0 0 33 41 1 0 0 0 0 34 42 1 0 0 0 0 35 21 1 0 0 0 0 S SKP 8 ID FL3FAACS0072 KNApSAcK_ID C00014040 NAME Isovitexin 6''-O-glucoside CAS_RN 191615-66-4 FORMULA C27H30O15 EXACTMASS 594.15847029 AVERAGEMASS 594.5181 SMILES c(c5)(ccc(c5)C(O1)=CC(c(c2O)c1cc(c(C(O3)C(C(O)C(O)C(COC(C4O)OC(C(C(O)4)O)CO)3)O)2)O)=O)O M END