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Mol:FL7AACGL0004 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
43 47 0 0 0 0 0 0 0 0999 V2000<br />
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2 3 1 0 0 0 0<br />
3 4 2 0 0 0 0<br />
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7 8 2 0 0 0 0<br />
8 9 1 0 0 0 0<br />
9 10 2 0 0 0 0<br />
10 5 1 0 0 0 0<br />
9 11 1 0 0 0 0<br />
11 12 2 0 0 0 0<br />
12 13 1 0 0 0 0<br />
13 14 2 0 0 0 0<br />
14 15 1 0 0 0 0<br />
15 16 2 0 0 0 0<br />
16 11 1 0 0 0 0<br />
8 17 1 0 0 0 0<br />
18 19 1 0 0 0 0<br />
19 20 1 1 0 0 0<br />
20 21 1 1 0 0 0<br />
22 21 1 1 0 0 0<br />
22 23 1 0 0 0 0<br />
23 18 1 0 0 0 0<br />
19 17 1 0 0 0 0<br />
18 24 1 0 0 0 0<br />
23 25 1 0 0 0 0<br />
22 26 1 0 0 0 0<br />
1 27 1 0 0 0 0<br />
3 28 1 0 0 0 0<br />
14 29 1 0 0 0 0<br />
30 31 1 1 0 0 0<br />
31 32 1 1 0 0 0<br />
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35 30 1 0 0 0 0<br />
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13 39 1 0 0 0 0<br />
21 40 1 0 0 0 0<br />
40 41 1 0 0 0 0<br />
35 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 -5.4482 4.4385<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 -5.9790 4.7216<br />
S SKP 8<br />
ID FL7AACGL0004<br />
KNApSAcK_ID C00002378<br />
NAME Cyanin;Cyanidin 3,5-diglucoside<br />
CAS_RN 2611-67-8<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 />
</pre></div>
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