Mol:FL7AACGL0081

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FL7AACGL0081.png 

<pre>

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  77  78
M  SBL   1  1  84
M  SMT   1 CH2OH
M  SBV   1 84   -5.5787    5.2556
S  SKP  8
ID	FL7AACGL0081
KNApSAcK_ID	C00006857
NAME	Gentiocyanin B;Cyanidin 3-glucoside-5,3'-di-(caffeoylglucoside)
CAS_RN	170663-60-2
FORMULA	C51H53O27
EXACTMASS	1097.27742149
AVERAGEMASS	1097.95032
SMILES	Oc(c1)c(O)ccc(C=CC(OCC(O2)C(C(O)C(O)C2Oc(c3)c(ccc(c([o+1]4)c(OC(C(O)8)OC(CO)C(O)C(O)8)cc(c(OC(C6O)OC(COC(C=Cc(c7)ccc(O)c7O)=O)C(C6O)O)5)c4cc(c5)O)3)O)O)=O)1
M  END

</pre>

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