Mol:FL5FACNF0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -1.0976 -1.7781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1072 -0.9532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4076 -2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3184 -1.7844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3276 -0.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3976 -0.5324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0421 -0.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7981 -0.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5263 -0.9521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5240 -1.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8225 -2.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4076 -3.0080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0329 -2.1969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7565 -0.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4710 -0.5338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4710 0.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7565 0.7037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0421 0.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1221 0.6672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1353 -0.9173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7565 1.3580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0421 1.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0421 2.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3276 3.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7565 3.0080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8225 -2.8510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9570 0.2690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7834 0.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1353 -0.3842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1203 0.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6365 0.8240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3071 0.0948 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 16 19 1 0 0 0 0 15 20 1 0 0 0 0 17 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 11 26 1 0 0 0 0 8 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 9 1 0 0 0 0 28 30 1 0 0 0 0 27 31 1 0 0 0 0 27 32 1 0 0 0 0 S SKP 8 ID FL5FACNF0002 KNApSAcK_ID C00013535 NAME Broussonol C;2-[3,4-Dihydroxy-5-(3-methyl-2-butenyl)phenyl]-8,9-dihydro-3,5-dihydroxy-8,9,9-trimethyl-4H-furo[2,3-h]-1-benzopyran-4-one CAS_RN 370563-86-3 FORMULA C25H26O7 EXACTMASS 438.167853186 AVERAGEMASS 438.46974 SMILES Oc(c1)c(c(cc(C(=C4O)Oc(c(C4=O)3)c(C2(C)C)c(cc(O)3)OC2C)1)CC=C(C)C)O M END