Mol:FL7AFAGL0002
From Metabolomics.JP
FL7AFAGL0002.mol
ChemDraw12051215472D
55 61 0 0 0 0 0 0 0 0999 V2000
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1 2 1 0
1 3 1 0
1 4 1 0
1 5 1 6
2 6 1 0
2 7 1 1
2 8 1 6
3 9 1 0
3 10 2 0
4 11 2 0
4 12 1 0
6 13 1 0
6 14 1 0
6 15 1 6
9 16 2 0
9 17 1 0
10 18 1 0
10 19 1 0
11 14 1 0
11 20 1 0
12 21 2 0
12 22 1 0
13 23 1 0
13 24 2 0
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16 26 1 0
17 27 2 0
18 25 2 0
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23 29 2 0
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47 46 1 1
48 47 1 1
48 49 1 0
49 50 1 0
50 45 1 0
47 51 1 0
45 52 1 0
46 53 1 0
50 54 1 0
54 55 1 0
37 48 1 0
M CHG 1 17 1
S SKP 5
ID FL7AFAGL0002
FORMULA C36H33O16
EXACTMASS 721.176860008
AVERAGEMASS 721.63762
SMILES c(c7)c(ccc(O)7)c([o+1]1)c(OC(O6)C(C(C(C6CO)O)O)O)cc(c(O)2)c(c(C(C4([H])O)([H])c(c(OC4(c(c5)cc(O)c(c5)O)[H])3)c(cc(O)c3)O)c(c2)O)1
M END
