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Mol:FL7AACGL0072 - Revision history
2026-05-18T05:06:57Z
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Copyright: ARM project http://www.metabolome.jp/<br />
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9 10 2 0 0 0 0<br />
10 5 1 0 0 0 0<br />
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13 14 2 0 0 0 0<br />
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15 16 2 0 0 0 0<br />
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1 17 1 0 0 0 0<br />
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3 19 1 0 0 0 0<br />
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22 23 1 1 0 0 0<br />
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24 25 1 0 0 0 0<br />
25 26 1 0 0 0 0<br />
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23 28 1 0 0 0 0<br />
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25 42 1 0 0 0 0<br />
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44 45 2 0 0 0 0<br />
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46 47 2 0 0 0 0<br />
47 48 1 0 0 0 0<br />
44 43 1 0 0 0 0<br />
48 49 2 0 0 0 0<br />
49 50 1 0 0 0 0<br />
50 51 2 0 0 0 0<br />
51 52 1 0 0 0 0<br />
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51 54 1 0 0 0 0<br />
55 56 1 1 0 0 0<br />
56 57 1 1 0 0 0<br />
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20 21 1 0 0 0 0<br />
27 58 1 0 0 0 0<br />
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60 75 1 0 0 0 0<br />
75 76 1 0 0 0 0<br />
50 77 1 0 0 0 0<br />
77 78 1 0 0 0 0<br />
M STY 1 4 SUP<br />
M SLB 1 4 4<br />
M SAL 4 2 75 76<br />
M SBL 4 1 82<br />
M SMT 4 CH2OH<br />
M SVB 4 82 -0.6865 -2.6806<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 73 74<br />
M SBL 3 1 80<br />
M SMT 3 CH2OH<br />
M SVB 3 80 1.2825 4.327<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 40 41<br />
M SBL 2 1 42<br />
M SMT 2 CH2OH<br />
M SVB 2 42 -4.677 -1.2201<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 77 78<br />
M SBL 1 1 84<br />
M SMT 1 OCH3<br />
M SVB 1 84 4.5905 3.1292<br />
S SKP 8<br />
ID FL7AACGL0072<br />
KNApSAcK_ID C00006848<br />
NAME Cyanidin 3-[6''-(4-glucosylferulyl)-sophoroside]-5-glucoside<br />
CAS_RN 107500-83-4<br />
FORMULA C49H59O29<br />
EXACTMASS 1111.314200926<br />
AVERAGEMASS 1111.9753600000001<br />
SMILES O[C@@H]([C@H]1O)[C@H](Oc(c8OC)ccc(c8)C=CC(=O)OCC([C@H]3O)O[C@H](Oc(c7)c([o+1]c(c75)cc(O)cc5O[C@@H]([C@@H](O)6)OC([C@@H]([C@@H]6O)O)CO)c(c4)cc(c(O)c4)O)[C@@H]([C@@H]3O)O[C@H](O2)[C@@H](O)[C@@H](O)[C@@H](O)C2CO)OC([C@H](O)1)CO<br />
M END<br />
</pre></div>
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