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Mol:FL7AACGA0004 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
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27 40 1 0 0 0 0<br />
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34 42 1 0 0 0 0<br />
42 43 1 0 0 0 0<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 40 41<br />
M SBL 1 1 44<br />
M SMT 1 ^CH2OH<br />
M SBV 1 44 -6.1757 5.8372<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 42 43<br />
M SBL 2 1 46<br />
M SMT 2 CH2OH<br />
M SBV 2 46 -5.6400 5.4438<br />
S SKP 8<br />
ID FL7AACGA0004<br />
KNApSAcK_ID C00006664<br />
NAME Cyanidin 3-galactoside-5-glucoside<br />
CAS_RN 28454-88-8<br />
FORMULA C27H31O16<br />
EXACTMASS 611.161209944<br />
AVERAGEMASS 611.52544<br />
SMILES Oc(c(O)1)ccc(c(c4OC(O5)C(C(O)C(C5CO)O)O)[o+1]c(c3)c(c4)c(cc3O)OC(O2)C(C(C(O)C2CO)O)O)c1<br />
M END<br />
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