Mol:FLIBALNI0004

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Copyright: ARM project http://www.metabolome.jp/
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M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  31  32
M  SBL   1  1  33
M  SMT   1 ^OCH3
M  SBV   1 33   -5.9069    5.3988
S  SKP  8
ID	FLIBALNI0004
KNApSAcK_ID	C00009564
NAME	Isosophoranone
CAS_RN	64280-18-8
FORMULA	C26H30O6
EXACTMASS	438.204238692
AVERAGEMASS	438.51279999999997
SMILES	Oc(c3)c(c(c(c3)C(C2)C(=O)c(c(O)1)c(O2)cc(c(CC=C(C)C)1)O)OC)CC=C(C)C
M  END

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