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Mol:FL1CQUCS0001 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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32 41 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 39 40<br />
M SBL 1 1 44<br />
M SMT 1 ^CH2OH<br />
M SBV 1 44 -38.3394 23.9234<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 41 42<br />
M SBL 2 1 46<br />
M SMT 2 CH2OH<br />
M SBV 2 46 -37.0020 24.6378<br />
S SKP 8<br />
ID FL1CQUCS0001<br />
KNApSAcK_ID C00006246<br />
NAME Safflor yellow A<br />
CAS_RN 85532-77-0<br />
FORMULA C27H30O15<br />
EXACTMASS 594.15847029<br />
AVERAGEMASS 594.5181<br />
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<br />
M END<br />
</pre></div>
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