Mol:FLIFHXNF0004

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Copyright: ARM project http://www.metabolome.jp/
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M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  27  28
M  SBL   3  1  31
M  SMT   3  OCH3
M  SVB   3 31    0.9918   -1.0369
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  25  26
M  SBL   2  1  29
M  SMT   2  OCH3
M  SVB   2 29    2.2409   -0.7282
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  23  24
M  SBL   1  1  27
M  SMT   1  OCH3
M  SVB   1 27    0.0606    0.1875
S  SKP  8
ID	FLIFHXNF0004
KNApSAcK_ID	C00009585
NAME	Neobanone;12a-Methoxyerosone
CAS_RN	61419-05-4
FORMULA	C21H18O7
EXACTMASS	382.10525293
AVERAGEMASS	382.36342
SMILES	O=C(C34OC)c(c(OC3COc(c5)c4cc(OC)c(OC)5)1)cc(c2)c(oc2)c1
M  END

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