Mol:FL5FACNP0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -1.4796 -1.4143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4892 -0.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8038 -1.8192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0717 -1.4343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0526 -0.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7796 -0.1686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6618 -0.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1686 -0.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9045 -0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9060 -1.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2008 -1.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8038 -2.6440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6428 -1.8468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3754 -0.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0912 -0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0926 0.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3781 1.0614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6636 0.6489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2008 -2.6607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6190 -0.1693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1686 0.6404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8070 1.0614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8070 1.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0926 2.2989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3781 1.8864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8057 -0.5909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0919 2.6607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6190 1.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 0.4843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8677 1.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8782 1.0500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8782 1.8779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 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 2 1 0 0 0 0 7 5 1 0 0 0 0 2 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 1 2 0 0 0 0 3 12 2 0 0 0 0 4 13 1 0 0 0 0 7 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 7 1 0 0 0 0 11 19 1 0 0 0 0 9 20 1 0 0 0 0 8 21 1 0 0 0 0 16 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 17 1 0 0 0 0 15 26 1 0 0 0 0 23 27 1 0 0 0 0 23 28 1 0 0 0 0 21 29 1 0 0 0 0 21 30 1 0 0 0 0 21 31 1 0 0 0 0 31 32 2 0 0 0 0 S SKP 8 ID FL5FACNP0005 KNApSAcK_ID C00013538 NAME Broussonol A;8-(1,1-Dimethyl-2-propenyl)-3,5,7-trihydroxy-2-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-4H-1-benzopyran-4-one CAS_RN 339524-98-0 FORMULA C25H24O7 EXACTMASS 436.152203122 AVERAGEMASS 436.45385999999996 SMILES C(C1(C)C)=Cc(c2)c(c(cc2C(O4)=C(O)C(=O)c(c43)c(O)cc(O)c(C(C)(C)C=C)3)O)O1 M END