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Mol:FL4D1CGS0003 - 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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-4.5076 1.2950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
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4 5 1 0 0 0 0<br />
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6 1 1 0 0 0 0<br />
3 7 1 0 0 0 0<br />
7 8 1 0 0 0 0<br />
8 9 1 0 0 0 0<br />
9 10 1 0 0 0 0<br />
10 4 1 0 0 0 0<br />
7 11 2 0 0 0 0<br />
9 12 1 0 0 0 0<br />
12 13 2 0 0 0 0<br />
13 14 1 0 0 0 0<br />
14 15 2 0 0 0 0<br />
15 16 1 0 0 0 0<br />
16 17 2 0 0 0 0<br />
17 12 1 0 0 0 0<br />
6 18 1 0 0 0 0<br />
8 19 1 0 0 0 0<br />
15 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 />
22 28 1 0 0 0 0<br />
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24 18 1 0 0 0 0<br />
30 31 1 0 0 0 0<br />
31 32 1 1 0 0 0<br />
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34 33 1 1 0 0 0<br />
34 35 1 0 0 0 0<br />
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31 19 1 0 0 0 0<br />
16 39 1 0 0 0 0<br />
33 40 1 0 0 0 0<br />
40 41 1 0 0 0 0<br />
26 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 -3.5523 0.9994<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 3.7242 -1.4826<br />
S SKP 8<br />
ID FL4D1CGS0003<br />
KNApSAcK_ID C00008688<br />
NAME Fustin 3,7-diglucoside<br />
CAS_RN -<br />
FORMULA C27H32O16<br />
EXACTMASS 612.1690349759999<br />
AVERAGEMASS 612.53338<br />
SMILES C([C@@H](O1)[C@@H](C(O)C([C@@H]1OC(C(c(c5)ccc(O)c5O)4)C(=O)c(c(O4)2)ccc(O[C@H](O3)[C@@H](O)[C@@H](O)[C@@H](O)C3CO)c2)O)O)O<br />
M END<br />
</pre></div>
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