Mol:FLIDWXNS0011
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 21 25 0 0 0 0 0 0 0 0999 V2000 -2.2042 0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2042 0.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6479 -0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0916 0.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0916 0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6479 1.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5353 -0.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 0.1757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 0.8180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5353 1.1392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5771 -0.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5771 -0.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1718 -1.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7666 -0.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7666 -0.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1718 0.1980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5336 -0.8320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8235 1.1756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4198 -1.0444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8235 -0.4888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4198 0.0669 0.0000 O 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 8 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 7 17 1 0 0 0 0 12 17 1 0 0 0 0 18 1 1 0 0 0 0 14 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 15 1 0 0 0 0 S SKP 8 ID FLIDWXNS0011 KNApSAcK_ID C00010028 NAME 3-Hydroxy-8,9-methylenedioxypterocarp-6a-ene CAS_RN 59901-98-3 FORMULA C16H10O5 EXACTMASS 282.05282343 AVERAGEMASS 282.2476 SMILES Oc(c5)cc(O4)c(c5)c(o1)c(C4)c(c2)c(cc(O3)c(OC3)2)1 M END
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