Mol:FL5FABNI0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 31 0 0 0 0 0 0 0 0999 V2000 -1.4078 -1.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4175 -0.8103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 -2.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0186 -1.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0129 -0.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7079 -0.3894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4438 -0.7977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7274 -0.3835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1292 -0.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8440 -0.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8369 -1.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1244 -2.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1498 -0.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1307 0.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4128 0.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7112 0.4518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1244 -2.8813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 -2.8644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 -2.0354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5584 -0.4103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1292 0.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8450 0.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8452 0.8965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8450 1.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4702 1.8113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1059 1.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5584 0.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8450 2.4688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1305 2.8813 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 8 1 0 0 0 0 8 5 1 0 0 0 0 2 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 1 2 0 0 0 0 7 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 8 2 0 0 0 0 12 17 1 0 0 0 0 3 18 2 0 0 0 0 4 19 1 0 0 0 0 10 20 1 0 0 0 0 9 21 1 0 0 0 0 21 22 1 0 0 0 0 23 14 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 23 27 1 0 0 0 0 24 28 1 0 0 0 0 28 29 1 0 0 0 0 S SKP 8 ID FL5FABNI0003 KNApSAcK_ID C00013519 NAME Brevicornin;3,5,7-Trihydroxy-8-(3-methoxy-3-methylbutyl)-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one CAS_RN 173792-49-9 FORMULA C22H24O7 EXACTMASS 400.152203122 AVERAGEMASS 400.42176000000006 SMILES O(C)c(c3)ccc(c3)C(=C(O)1)Oc(c2CCC(OC)(C)C)c(c(O)cc2O)C1=O M END