Mol:FLIA2CNP0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 28 32 0 0 0 0 0 0 0 0999 V2000 -1.5725 0.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5725 0.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0162 -0.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4599 0.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4599 0.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0162 1.0204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0964 -0.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6527 0.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6527 0.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0964 1.0204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2088 -0.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2088 -0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8036 -1.2944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3984 -0.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3984 -0.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8036 0.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0964 -0.9065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0162 1.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5725 1.9839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1288 1.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1288 1.0204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7788 2.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9088 1.4537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9464 -1.9662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6294 -2.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9088 -1.4106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2870 0.1483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5725 -0.2642 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 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 2 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 1 0 0 0 0 21 1 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 13 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 14 1 0 0 0 0 2 27 1 0 0 0 0 27 28 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 27 28 M SBL 1 1 31 M SMT 1 ^OCH3 M SBV 1 31 -6.2016 3.2037 S SKP 8 ID FLIA2CNP0001 KNApSAcK_ID C00009441 NAME Durmillone CAS_RN 7731-09-1 FORMULA C22H18O6 EXACTMASS 378.110338308 AVERAGEMASS 378.37472 SMILES c(O5)(c1OC5)cc(C(=C4)C(c(c(O4)3)cc(OC)c(c32)OC(C=C2)(C)C)=O)cc1 M END
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