Mol:FL5FDCNP0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -1.4107 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4107 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8544 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2981 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2981 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8544 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2582 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8145 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8145 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2582 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2582 -1.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3706 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9376 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5046 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5046 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9376 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3706 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8544 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9670 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5233 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5233 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9670 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9368 0.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0714 -0.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8544 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4105 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4105 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9666 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8544 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9376 1.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0714 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6805 -1.4633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5465 -1.9633 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 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 2 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 6 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 16 30 1 0 0 0 0 15 31 1 0 0 0 0 8 32 1 0 0 0 0 32 33 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 32 33 M SBL 1 1 35 M SMT 1 OCH3 M SVB 1 35 1.0134 -1.1696 S SKP 8 ID FL5FDCNP0002 KNApSAcK_ID C00005086 NAME Broussoflavonol A;8-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-2,2-dimethyl-10-(3-methyl-2-butenyl)-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one CAS_RN 99217-69-3 FORMULA C26H26O7 EXACTMASS 450.167853186 AVERAGEMASS 450.48043999999993 SMILES C(C)(C)(C=1)Oc(c(CC=C(C)C)2)c(c(c(C(=O)4)c(OC(=C4OC)c(c3)ccc(c(O)3)O)2)O)C1 M END
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