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Mol:FL7AACGL0007 - Revision history
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<p><b>New page</b></p><div><pre><br />
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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 2 0 0 0 0<br />
3 4 1 0 0 0 0<br />
4 5 2 0 0 0 0<br />
5 6 1 0 0 0 0<br />
6 1 2 0 0 0 0<br />
4 7 1 0 0 0 0<br />
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 />
14 17 1 0 0 0 0<br />
1 18 1 0 0 0 0<br />
3 19 1 0 0 0 0<br />
8 20 1 0 0 0 0<br />
15 21 1 0 0 0 0<br />
23 22 1 1 0 0 0<br />
23 24 1 0 0 0 0<br />
24 25 1 0 0 0 0<br />
25 26 1 0 0 0 0<br />
26 27 1 1 0 0 0<br />
27 22 1 1 0 0 0<br />
23 28 1 0 0 0 0<br />
24 29 1 0 0 0 0<br />
26 20 1 0 0 0 0<br />
25 30 1 0 0 0 0<br />
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34 35 1 0 0 0 0<br />
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36 31 1 0 0 0 0<br />
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31 29 1 0 0 0 0<br />
22 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 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 SVB 2 46 2.8784 -1.227<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 SVB 1 44 -0.5191 -2.3083<br />
S SKP 8<br />
ID FL7AACGL0007<br />
KNApSAcK_ID C00006659<br />
NAME Cyanidin 3-laminaribioside<br />
CAS_RN 214424-04-1<br />
FORMULA C27H31O16<br />
EXACTMASS 611.161209944<br />
AVERAGEMASS 611.52544<br />
SMILES Oc(c(O)5)ccc(c5)c([o+1]1)c(O[C@@H](C(O)3)O[C@@H]([C@H](O)C3O[C@H]([C@H](O)4)OC([C@@H](O)[C@@H](O)4)CO)CO)cc(c2O)c1cc(O)c2<br />
M END<br />
</pre></div>
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