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Mol:FLIA2AGS0005 - Revision history
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Copyright: ARM project http://www.metabolome.jp/<br />
44 48 0 0 0 0 0 0 0 0999 V2000<br />
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0.2004 0.7503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
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1.8895 1.0834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.2006 0.1083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
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10 11 2 0 0 0 0<br />
11 5 1 0 0 0 0<br />
6 12 2 0 0 0 0<br />
7 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 17 1 0 0 0 0<br />
17 18 2 0 0 0 0<br />
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20 21 1 1 0 0 0<br />
22 21 1 1 0 0 0<br />
22 23 1 0 0 0 0<br />
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19 25 1 0 0 0 0<br />
20 26 1 0 0 0 0<br />
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22 1 1 0 0 0 0<br />
28 29 1 1 0 0 0<br />
29 30 1 1 0 0 0<br />
31 30 1 1 0 0 0<br />
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39 40 1 0 0 0 0<br />
24 41 1 0 0 0 0<br />
41 42 1 0 0 0 0<br />
10 43 1 0 0 0 0<br />
43 44 1 0 0 0 0<br />
M STY 1 4 SUP<br />
M SLB 1 4 4<br />
M SAL 4 2 41 42<br />
M SBL 4 1 45<br />
M SMT 4 CH2OH<br />
M SVB 4 45 -2.2624 1.5037<br />
M STY 1 3 SUP<br />
M SLB 1 3 3<br />
M SAL 3 2 37 38<br />
M SBL 3 1 41<br />
M SMT 3 CH2OH<br />
M SVB 3 41 -4.4693 0.6787<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 43 44<br />
M SBL 2 1 47<br />
M SMT 2 OCH3<br />
M SVB 2 47 -0.5139 0.2004<br />
M STY 1 1 SUP<br />
M SLB 1 1 1<br />
M SAL 1 2 39 40<br />
M SBL 1 1 43<br />
M SMT 1 OCH3<br />
M SVB 1 43 4.3394 -1.0912<br />
S SKP 8<br />
ID FLIA2AGS0005<br />
KNApSAcK_ID C00010094<br />
NAME Afrormosin 7-O-laminaribioside<br />
CAS_RN 68862-17-9<br />
FORMULA C29H34O15<br />
EXACTMASS 622.189770418<br />
AVERAGEMASS 622.5712599999999<br />
SMILES [C@@H]([C@@H]1O)(O[C@@H]([C@H]5O)OC([C@@H]([C@H](O)5)O)CO)[C@H](C(O[C@H]1Oc(c4)c(cc(c34)C(=O)C(=CO3)c(c2)ccc(c2)OC)OC)CO)O<br />
M END<br />
</pre></div>
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