Mol:FL1A3CGS0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -0.6015 -1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6015 -0.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1207 -0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6399 -0.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6399 -1.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1207 -1.5831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0313 -1.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3211 -0.9836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0313 -0.4985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1591 -0.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7629 -0.9836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6467 -0.9836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9470 -1.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5476 -1.5037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8479 -0.9836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5476 -0.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9470 -0.4635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4474 -0.9836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1131 -2.0072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8474 0.0557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1207 0.2155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7525 1.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6760 0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1092 0.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6597 0.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7969 0.9704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3252 0.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4474 1.4086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1912 1.0636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1010 0.1131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4075 1.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9909 2.0072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 2 0 0 0 0 6 1 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 2 1 0 0 0 0 4 10 1 0 0 0 0 8 11 2 0 0 0 0 11 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 7 19 2 0 0 0 0 16 20 1 0 0 0 0 3 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 21 1 0 0 0 0 27 31 1 0 0 0 0 31 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 34 M SMT 1 ^CH2OH M SBV 1 34 -7.2590 4.8219 S SKP 8 ID FL1A3CGS0006 KNApSAcK_ID C00008055 NAME Maritimetin 7-glucoside CAS_RN 134955-54-7 FORMULA C21H20O11 EXACTMASS 448.100561482 AVERAGEMASS 448.3769 SMILES c(c24)(c(c(cc4)O)OC(C(O)3)OC(CO)C(O)C3O)oc(c(=O)2)=Cc(c1)ccc(c1O)O M END