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Mol:FL4DA9GS0001 - Revision history
2026-05-28T09:06:05Z
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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 />
42 46 0 0 0 0 0 0 0 0999 V2000<br />
3.8692 0.7405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
4.4403 1.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
4.4403 1.7296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.8692 2.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.2982 1.7296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
3.2982 1.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.3942 0.0475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
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1.9827 1.0668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
1.3942 0.7270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.8058 1.0668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
0.2173 0.7270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
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-1.2462 -0.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-2.2450 -0.4059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
-3.5485 -0.9872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br />
-4.3512 -0.3908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br />
1 2 2 0 0 0 0<br />
2 3 1 0 0 0 0<br />
3 4 2 0 0 0 0<br />
4 5 1 0 0 0 0<br />
5 6 2 0 0 0 0<br />
6 1 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 11 1 0 0 0 0<br />
11 12 1 0 0 0 0<br />
12 7 2 0 0 0 0<br />
10 6 1 6 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 7 1 0 0 0 0<br />
14 17 1 0 0 0 0<br />
16 18 1 0 0 0 0<br />
8 19 2 0 0 0 0<br />
9 20 1 1 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 />
18 24 1 0 0 0 0<br />
23 27 1 0 0 0 0<br />
22 28 1 0 0 0 0<br />
21 29 1 0 0 0 0<br />
30 31 1 1 0 0 0<br />
31 32 1 1 0 0 0<br />
33 32 1 1 0 0 0<br />
33 34 1 0 0 0 0<br />
34 35 1 0 0 0 0<br />
35 30 1 0 0 0 0<br />
29 33 1 0 0 0 0<br />
31 36 1 0 0 0 0<br />
32 37 1 0 0 0 0<br />
30 38 1 0 0 0 0<br />
26 39 1 0 0 0 0<br />
39 40 1 0 0 0 0<br />
35 41 1 0 0 0 0<br />
41 42 1 0 0 0 0<br />
M STY 1 2 SUP<br />
M SLB 1 2 2<br />
M SAL 2 2 41 42<br />
M SBL 2 1 45<br />
M SMT 2 CH2OH<br />
M SVB 2 45 -3.3788 -1.046<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 CH2OH<br />
M SVB 1 43 -1.2462 -0.454<br />
S SKP 8<br />
ID FL4DA9GS0001<br />
KNApSAcK_ID C00008666<br />
NAME Pinobanksin 5-galactosyl-(1->4)-glucoside<br />
CAS_RN 91925-95-0<br />
FORMULA C27H32O15<br />
EXACTMASS 596.174120354<br />
AVERAGEMASS 596.5339799999999<br />
SMILES [C@@H]([C@@H]1O[C@@H](C5CO)[C@@H]([C@H](O)[C@@H](O5)Oc(c4)c(C3=O)c(cc4O)O[C@@H]([C@@H](O)3)c(c2)cccc2)O)(O)[C@@H](O)[C@@H](O)C(O1)CO<br />
M END<br />
</pre></div>
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