Mol:FL1C1ANI0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 28 0 0 0 0 0 0 0 0999 V2000 1.7328 0.9574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7328 0.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2891 -0.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8455 0.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8455 0.9574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2891 1.2786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4759 0.3150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0322 -0.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0802 -0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6412 0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0802 -0.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6412 0.9657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1938 1.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7464 0.9657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7464 0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1938 0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4018 1.2786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2991 0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1938 -0.6296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2991 -0.6295 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7478 -0.9478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8504 -0.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4018 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8504 -1.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7478 -1.5606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1037 1.5844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6038 2.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 2 8 1 0 0 0 0 10 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 10 1 0 0 0 0 17 5 1 0 0 0 0 15 18 1 0 0 0 0 19 16 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 21 25 1 0 0 0 0 14 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 26 27 M SBL 1 1 27 M SMT 1 OCH3 M SVB 1 27 -2.1037 1.5844 S SKP 8 ID FL1C1ANI0006 KNApSAcK_ID C00007066 NAME Xanthoangelol E CAS_RN 132998-84-6 FORMULA C21H22O6 EXACTMASS 370.141638436 AVERAGEMASS 370.39578 SMILES Oc(c2)ccc(c2)C=CC(c(c1O)ccc(c1CC(OO)C(C)=C)OC)=O M END