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Mol:FL7AAAGL0006 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
41 45 0 0 0 0 0 0 0 0999 V2000<br />
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-1.0788 -2.0747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
1 2 1 0 0 0 0<br />
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 />
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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 />
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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 />
22 21 1 1 0 0 0<br />
22 23 1 0 0 0 0<br />
23 24 1 0 0 0 0<br />
24 25 1 0 0 0 0<br />
25 26 1 1 0 0 0<br />
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22 29 1 0 0 0 0<br />
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31 37 1 0 0 0 0<br />
36 38 1 0 0 0 0<br />
35 39 1 0 0 0 0<br />
32 20 1 0 0 0 0<br />
37 25 1 0 0 0 0<br />
34 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 -4.6557 3.3384<br />
S SKP 8<br />
ID FL7AAAGL0006<br />
KNApSAcK_ID C00006638<br />
NAME Pelargonidin 3-neohesperidoside;Pelargonidin 3-(2-rhamnosylglucoside)<br />
CAS_RN 118964-12-8<br />
FORMULA C27H31O14<br />
EXACTMASS 579.1713807<br />
AVERAGEMASS 579.52664<br />
SMILES O(C5CO)C(C(C(C5O)O)OC(C4O)OC(C)C(C4O)O)Oc(c2c(c3)ccc(O)c3)cc(c([o+1]2)1)c(cc(O)c1)O<br />
M END<br />
</pre></div>
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