Mol:FLIDWXNP0002
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 25 29 0 0 0 0 0 0 0 0999 V2000 -2.6228 0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6228 0.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0665 -0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5102 0.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5102 0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0665 1.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9539 -0.1488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3976 0.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3976 0.8147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9539 1.1359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1585 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1585 -0.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7533 -1.1789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3481 -0.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3481 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7533 0.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9522 -0.8353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9423 -1.1786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5376 -0.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5376 -0.1487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9429 0.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5376 -1.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9800 -0.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9800 1.4334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4800 2.2994 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 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 14 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 15 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 1 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 24 25 M SBL 1 1 28 M SMT 1 OCH3 M SVB 1 28 -2.98 1.4334 S SKP 8 ID FLIDWXNP0002 KNApSAcK_ID C00010026 NAME 3-O-Methylanhydrotuberosin;3-Methoxy-6'',6''-dimethylpyrano[2'',3'':9,8]pterocarpene CAS_RN 41347-50-6 FORMULA C21H18O4 EXACTMASS 334.120509064 AVERAGEMASS 334.36521999999997 SMILES c(c35)(c(oc3c(c4OC5)ccc(c4)OC)1)cc(C=2)c(OC(C2)(C)C)c1 M END
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