Mol:FL3FA9NI0004
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -1.7102 -0.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7102 -0.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1539 -1.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5976 -0.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5976 -0.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1539 -0.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0413 -1.2885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5150 -0.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5150 -0.3249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0413 -0.0038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0413 -1.7893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0711 -0.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6381 -0.3312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2051 -0.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2051 0.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6381 0.9782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0711 0.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1539 0.6384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7100 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7100 1.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2234 1.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2051 1.8615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0674 0.2938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5674 1.1598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5903 -1.4490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8758 -1.8615 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 6 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 1 23 1 0 0 0 0 23 24 1 0 0 0 0 3 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 25 26 M SBL 2 1 27 M SMT 2 OCH3 M SVB 2 27 -1.5903 -1.449 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 23 24 M SBL 1 1 25 M SMT 1 OCH3 M SVB 1 25 -2.0674 0.2938 S SKP 8 ID FL3FA9NI0004 KNApSAcK_ID C00004015 NAME trans-Anhydrotephrostachin CAS_RN 80377-44-2 FORMULA C22H20O4 EXACTMASS 348.136159128 AVERAGEMASS 348.3918 SMILES C(C)(=C)C=Cc(c3OC)c(c1c(c3)OC)OC(c(c2)cccc2)=CC(=O)1 M END
</pre>