Mol:FL64DBGM0001

 
 
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  39  40 
M  SBL   1  1  43 
M  SMT   1 OCH3 
M  SBV   1 43   -8.0568    4.7850 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  41  42 
M  SBL   2  1  45 
M  SMT   2 ^CH2OH 
M  SBV   2 45   -8.0188    5.7297 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  43  44 
M  SBL   3  1  47 
M  SMT   3 OCH3 
M  SBV   3 47   -7.0536    5.2728 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  45  46 
M  SBL   4  1  49 
M  SMT   4 ^CH2OH 
M  SBV   4 49   -8.0188    5.7297 
S  SKP  8 
ID	FL64DBGM0001 
KNApSAcK_ID	C00008980 
NAME	Eruberin C 
CAS_RN	90146-70-6 
FORMULA	C31H42O15 
EXACTMASS	654.252370674 
AVERAGEMASS	654.65618 
SMILES	C(O)(C(O)1)C(C(Oc(c5C)c(c(c(c53)C(OC)CC(c(c4)ccc(c4)OC)O3)OC(O2)C(C(C(C2CO)O)O)O)C)OC(CO)1)O 
M  END