Mol:FL1CQUCS0001

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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  39  40
M  SBL   1  1  44
M  SMT   1 ^CH2OH
M  SBV   1 44  -38.3394   23.9234
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  41  42
M  SBL   2  1  46
M  SMT   2 CH2OH
M  SBV   2 46  -37.0020   24.6378
S  SKP  8
ID	FL1CQUCS0001
KNApSAcK_ID	C00006246
NAME	Safflor yellow A
CAS_RN	85532-77-0
FORMULA	C27H30O15
EXACTMASS	594.15847029
AVERAGEMASS	594.5181
SMILES	C(CO)(C5O)OC(C(O)C5O)C(C=13)(O)C(O)=C(C(C=Cc(c4)ccc(O)c4)=O)C(C1C(C(O3)2)OC(CO)C(O)C(O)2)=O
M  END

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