Mol:FL5FFANS0018
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -1.5449 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5449 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9886 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4323 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4323 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9886 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6803 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6803 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 0.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 -1.6148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2364 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8033 -0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3703 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3703 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8033 1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2364 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2364 -1.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9886 -1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1010 0.1707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9886 0.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5339 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0024 0.8572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5339 1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9371 1.1526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4703 1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9371 0.8579 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 4 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 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 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 17 2 0 0 0 0 17 12 1 0 0 0 0 8 18 1 0 0 0 0 3 19 1 0 0 0 0 1 20 1 0 0 0 0 6 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 15 25 1 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 S SKP 8 ID FL5FFANS0018 KNApSAcK_ID C00004923 NAME Herbacetin 8-butyrate CAS_RN 83677-11-6 FORMULA C19H16O8 EXACTMASS 372.08451748799996 AVERAGEMASS 372.32554 SMILES c(c1OC(=O)CCC)(O)cc(c(C2=O)c(OC(c(c3)ccc(O)c3)=C2O)1)O M END
</pre>