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Mol:FL5FAAGL0100 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 63 64<br />
M SBL 2 1 69<br />
M SMT 2 CH2OH<br />
M SVB 2 69 2.1523 -2.7912<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 61 62<br />
M SBL 1 1 67<br />
M SMT 1 CH2OH<br />
M SVB 1 67 -3.5795 2.7467<br />
S SKP 8<br />
ID FL5FAAGL0100<br />
KNApSAcK_ID C00005919<br />
NAME Kaempferol 3-neohesperidoside-7-(2''-p-coumarylglucoside)<br />
CAS_RN 173268-23-0<br />
FORMULA C42H46O22<br />
EXACTMASS 902.248073156<br />
AVERAGEMASS 902.80144<br />
SMILES [C@H](O)([C@@H](OC([C@H](OC(=C6c(c7)ccc(O)c7)C(=O)c(c3O6)c(cc(O[C@@H]([C@H]4OC(C=Cc(c5)ccc(O)c5)=O)OC(CO)[C@H](O)[C@@H]4O)c3)O)2)C([C@@H](O)[C@H](O2)CO)O)1)[C@H](O)[C@H](O)C(C)O1<br />
M END<br />
</pre></div>
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