Mol:FL3FAANI0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 -3.3734 -0.9565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7987 -0.6247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7987 0.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3734 0.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9482 0.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9482 -0.6247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1950 -0.9732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5914 -0.6247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5914 0.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1950 0.4209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3347 0.4256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3734 -1.3868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1950 -1.3368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0693 0.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4844 0.0361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1005 0.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1005 1.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4844 1.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0693 1.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6169 1.3473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7369 0.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3091 0.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8298 0.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8298 -0.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3741 0.3503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8127 0.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3644 0.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8416 0.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8416 -0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3347 0.4249 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 2 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 3 1 0 0 0 0 5 11 1 0 0 0 0 1 12 1 0 0 0 0 7 13 2 0 0 0 0 9 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 18 1 0 0 0 0 18 19 2 0 0 0 0 19 14 1 0 0 0 0 17 20 1 0 0 0 0 16 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 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 S SKP 8 ID FL3FAANI0003 KNApSAcK_ID C00004020 NAME Kuwanone S;Kuwanon S; 2-[3-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxyphenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one;2-[3-[(2E)-3,7-Dimethyl-2,6-octadienyl]-4-hydroxyphenyl]-5,7-dihydroxy-4H-1-benzopyran-4-one CAS_RN 100187-67-5 FORMULA C25H26O5 EXACTMASS 406.178023942 AVERAGEMASS 406.47094 SMILES c(c(O)3)c(c(c2c3)C(C=C(O2)c(c1)cc(CC=C(C)CCC=C(C)C)c(c1)O)=O)O M END