Mol:FL1CA9NF0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 28 31 0 0 0 0 0 0 0 0999 V2000 -1.5517 0.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5517 0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8372 -0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1227 0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1227 0.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8372 1.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 -0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5917 -1.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3062 0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0207 -0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7352 0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4496 -0.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1641 0.0878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1641 0.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4496 1.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7352 0.9128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8372 -1.1030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3363 1.1678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8212 0.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3363 -0.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6058 0.2454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6058 -0.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8212 -0.8346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1641 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6058 -1.1992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5379 -1.3253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0372 -0.6851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1702 1.1048 0.0000 H 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 4 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 10 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 3 17 1 0 0 0 0 1 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 2 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 20 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 23 26 1 6 0 0 0 20 27 1 6 0 0 0 19 28 1 6 0 0 0 S SKP 8 ID FL1CA9NF0001 KNApSAcK_ID C00014440 NAME (+)-Tephrosone;3-Phenyl-1-[(3S,3aS,8aR)-2,3,3a,8a-tetrahydro-3,4-dihydroxy-2,2-dimethylfuro[2,3-b]benzofuran-5-yl]-2-propen-1-one CAS_RN 93753-30-1 FORMULA C21H20O5 EXACTMASS 352.13107375 AVERAGEMASS 352.3805 SMILES OC(C1(C)C)C(c23)([H])C([H])(Oc2ccc(C(=O)C=Cc(c4)cccc4)c3O)O1 M END
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