Mol:FL3FAANF0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 28 0 0 0 0 0 0 0 0999 V2000 -0.1764 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1764 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8909 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6054 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6054 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8909 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5380 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2525 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2525 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5380 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9670 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6814 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3959 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3959 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6814 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9670 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5380 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1104 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8909 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3900 0.4612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8749 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3900 -0.8737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6986 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1104 -0.9195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1104 0.5070 0.0000 C 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 2 0 0 0 0 9 10 1 0 0 0 0 10 2 1 0 0 0 0 9 11 1 0 0 0 0 11 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 11 1 0 0 0 0 7 17 2 0 0 0 0 14 18 1 0 0 0 0 6 19 1 0 0 0 0 4 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 5 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 S SKP 8 ID FL3FAANF0001 KNApSAcK_ID C00013450 NAME Ciliatin A;(+)-2,3-dihydro-4-hydroxy-7-(4-hydroxyphenyl)-2-(1-methylethenyl)-5H-Furo[3,2-g][1]benzopyran-5-one CAS_RN 539826-39-6 FORMULA C20H16O5 EXACTMASS 336.099773622 AVERAGEMASS 336.33804000000003 SMILES C(=O)(C=3)c(c(O)1)c(OC3c(c4)ccc(O)c4)cc(O2)c1CC2C(C)=C M END