Mol:FL1DAACS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 45 0 0 0 0 0 0 0 0999 V2000
-1.2033 -0.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2033 -1.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4888 -1.8790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1.6546 -0.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3691 -0.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0835 -0.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7980 -0.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7980 0.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0835 1.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3691 0.5960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9401 -2.7040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-2.3638 -1.2337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-0.9974 2.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5177 1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0374 1.1134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9661 0.2912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.9260 1.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.4793 2.4159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6964 1.0452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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4 5 1 0 0 0 0
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8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 10 1 0 0 0 0
7 16 2 0 0 0 0
5 17 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
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21 22 1 1 0 0 0
23 22 1 1 0 0 0
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24 25 1 0 0 0 0
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25 26 1 0 0 0 0
26 27 1 0 0 0 0
20 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
13 31 1 0 0 0 0
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32 33 1 1 0 0 0
33 34 1 1 0 0 0
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38 39 1 0 0 0 0
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33 41 1 0 0 0 0
34 42 1 0 0 0 0
6 35 1 0 0 0 0
S SKP 8
ID FL1DAACS0002
KNApSAcK_ID C00014630
NAME Phloretin 3',5'-Di-C-glucoside
CAS_RN 357401-40-2
FORMULA C27H34O15
EXACTMASS 598.189770418
AVERAGEMASS 598.5498600000001
SMILES C(C1O)(O)C(O)C(OC1c(c(O)2)c(O)c(C(=O)CCc(c4)ccc(O)c4)c(O)c(C(C3O)OC(C(C3O)O)CO)2)CO
M END
