Mol:FL1CQUNI0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 34 35 0 0 0 0 0 0 0 0999 V2000 -3.9059 -0.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9059 -1.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1915 -1.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4770 -1.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4770 -0.5206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1915 -0.1081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5797 -1.7346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7823 -0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1134 -0.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3787 -0.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7678 0.5923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4078 -0.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8203 -0.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6453 -0.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0578 -0.0815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6453 0.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8203 0.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3970 1.0563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1566 1.1443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1178 -1.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1178 -2.0221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5616 -2.3432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5616 -3.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9519 -2.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1566 1.8899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6587 2.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6587 3.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9458 2.3879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7490 -0.0815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5561 0.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2117 0.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9153 0.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9153 1.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5797 0.5211 0.0000 C 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 2 7 1 0 0 0 0 5 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 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 1 0 0 0 0 16 17 1 0 0 0 0 17 12 1 0 0 0 0 17 18 2 0 0 0 0 16 19 1 0 0 0 0 14 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 19 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 15 29 2 0 0 0 0 16 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 S SKP 8 ID FL1CQUNI0001 KNApSAcK_ID C00014586 NAME Munchiwarin CAS_RN 213545-46-1 FORMULA C30H36O4 EXACTMASS 460.26135963999997 AVERAGEMASS 460.60444 SMILES C(C(=C(O)C=Cc(c2)ccc(c2)O)1)=C(CC=C(C)C)C(=O)C(C1=O)(CC=C(C)C)CC=C(C)C M END
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