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Mol:FL3FFAGS0004 - Revision history
2026-09-04T08:06:18Z
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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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2 3 2 0 0 0 0<br />
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8 9 2 0 0 0 0<br />
9 10 1 0 0 0 0<br />
10 5 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 />
18 3 1 0 0 0 0<br />
19 15 1 0 0 0 0<br />
20 1 1 0 0 0 0<br />
6 21 1 0 0 0 0<br />
22 23 1 1 0 0 0<br />
23 24 1 1 0 0 0<br />
25 24 1 1 0 0 0<br />
25 26 1 0 0 0 0<br />
26 27 1 0 0 0 0<br />
27 22 1 0 0 0 0<br />
22 28 1 0 0 0 0<br />
23 29 1 0 0 0 0<br />
24 30 1 0 0 0 0<br />
25 20 1 0 0 0 0<br />
31 32 1 1 0 0 0<br />
32 33 1 1 0 0 0<br />
34 33 1 1 0 0 0<br />
34 35 1 0 0 0 0<br />
35 36 1 0 0 0 0<br />
36 31 1 0 0 0 0<br />
31 37 1 0 0 0 0<br />
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34 30 1 0 0 0 0<br />
33 39 1 0 0 0 0<br />
27 40 1 0 0 0 0<br />
40 41 1 0 0 0 0<br />
36 42 1 0 0 0 0<br />
42 43 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 -7.3707 6.6229<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 SBV 2 46 -7.3707 6.6229<br />
S SKP 8<br />
ID FL3FFAGS0004<br />
KNApSAcK_ID C00004248<br />
NAME Isoscutellarein 7-allosyl-(1->2)-glucoside<br />
CAS_RN 96627-12-2<br />
FORMULA C27H30O16<br />
EXACTMASS 610.153384912<br />
AVERAGEMASS 610.5175<br />
SMILES C(O5)(=CC(c(c52)c(O)cc(OC(C(OC(C4O)OC(C(C4O)O)CO)3)OC(C(C3O)O)CO)c2O)=O)c(c1)ccc(O)c1<br />
M END<br />
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