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Mol:FL7AAAGO0004 - 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 />
41 45 0 0 0 0 0 0 0 0999 V2000<br />
-1.0960 1.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-1.0960 0.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
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-2.8386 0.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.1241 -0.1840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
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6 1 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 />
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 />
21 22 1 1 0 0 0<br />
22 23 1 1 0 0 0<br />
24 23 1 1 0 0 0<br />
24 25 1 0 0 0 0<br />
25 26 1 0 0 0 0<br />
26 21 1 0 0 0 0<br />
21 27 1 0 0 0 0<br />
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31 38 1 0 0 0 0<br />
32 39 1 0 0 0 0<br />
34 20 1 0 0 0 0<br />
26 40 1 0 0 0 0<br />
40 41 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 -5.5949 4.7454<br />
S SKP 8<br />
ID FL7AAAGS0004<br />
KNApSAcK_ID C00006641<br />
NAME Pelargonidin 3-rhamnoside-5-glucoside<br />
CAS_RN 53925-32-9<br />
FORMULA C27H31O14<br />
EXACTMASS 579.1713807<br />
AVERAGEMASS 579.52664<br />
SMILES O(c(c3)c([o+1]c(c4)c3c(OC(O5)C(C(C(O)C5CO)O)O)cc4O)c(c2)ccc(O)c2)C(O1)C(O)C(O)C(O)C(C)1<br />
M END<br />
</pre></div>
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