Mol:FL3FACCSS002

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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  35  36
M  SBL   1  1  38
M  SMT   1 ^CH2OH
M  SBV   1 38   -6.4322    7.1589
S  SKP  8
ID	FL3FACCSS002
KNApSAcK_ID	C00006086
NAME	Isoorientin 7-O-sulfate
CAS_RN	-
FORMULA	C21H20O14S
EXACTMASS	528.057376038
AVERAGEMASS	528.4411
SMILES	C(C1O)(O)C(O)C(CO)OC1c(c(OS(O)(=O)=O)4)c(c(C(=O)3)c(c4)OC(=C3)c(c2)cc(c(O)c2)O)O
M  END

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