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Mol:FL7AAHGL0010 - 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 39 40<br />
M SBL 2 1 42<br />
M SMT 2 OCH3<br />
M SVB 2 42 -0.2878 2.7548<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 3 35 38 36<br />
M SBL 1 1 38<br />
M SMT 1 COOH<br />
M SVB 1 38 3.9972 -2.0326<br />
S SKP 8<br />
ID FL7AAHGL0010<br />
KNApSAcK_ID C00006895<br />
NAME Petunidin 3-(6''-malonylglucoside)<br />
CAS_RN 122856-10-4<br />
FORMULA C25H25O15<br />
EXACTMASS 565.11934513<br />
AVERAGEMASS 565.457<br />
SMILES O=C(CC(O)=O)OC[C@H]([C@H](O)1)O[C@@H](Oc(c4)c([o+1]c(c34)cc(cc(O)3)O)c(c2)cc(O)c(c2OC)O)C(C(O)1)O<br />
M END<br />
</pre></div>
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