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Mol:FL3FACCS0029 - 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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2 3 2 0 0 0 0<br />
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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 1 0 0 0 0<br />
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 />
3 12 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 />
18 13 1 0 0 0 0<br />
9 13 1 0 0 0 0<br />
16 19 1 0 0 0 0<br />
20 21 1 1 0 0 0<br />
21 22 1 1 0 0 0<br />
23 22 1 1 0 0 0<br />
23 24 1 0 0 0 0<br />
24 25 1 0 0 0 0<br />
25 20 1 0 0 0 0<br />
20 26 1 0 0 0 0<br />
21 27 1 0 0 0 0<br />
2 23 1 0 0 0 0<br />
1 28 1 0 0 0 0<br />
22 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 />
30 36 1 0 0 0 0<br />
31 37 1 0 0 0 0<br />
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15 39 1 0 0 0 0<br />
25 40 1 0 0 0 0<br />
40 41 1 0 0 0 0<br />
35 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 -5.5313 7.8872<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 -5.5076 7.8872<br />
S SKP 8<br />
ID FL3FACCS0029<br />
KNApSAcK_ID C00006210<br />
NAME Isoorientin 2''-O-glucopyranoside;Meloside L<br />
CAS_RN 55196-48-0<br />
FORMULA C27H30O16<br />
EXACTMASS 610.153384912<br />
AVERAGEMASS 610.5175<br />
SMILES C(C(C1O)OC(OC(C2O)C(c(c3O)c(cc(O4)c(C(C=C(c(c5)ccc(c5O)O)4)=O)3)O)OC(C2O)CO)C(O)C(O)1)O<br />
M END<br />
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