Mol:FL1C3CGS0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
49 52 0 0 0 0 0 0 0 0999 V2000
-0.3479 -0.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3479 -1.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2061 -1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7601 -1.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7601 -0.4987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2061 -0.1789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3138 -1.4581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8663 -1.1391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4176 -1.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9678 -1.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5062 -1.4506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0445 -1.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0445 -0.5181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5062 -0.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9678 -0.5181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3138 -2.0961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-2.9264 0.6385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4120 1.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7400 1.7209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8123 1.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.9436 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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0.3061 1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-0.6311 2.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.6375 -1.7918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5882 -2.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
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15 10 1 0 0 0 0
7 16 2 0 0 0 0
3 17 1 0 0 0 0
1 18 1 0 0 0 0
13 19 1 0 0 0 0
20 2 1 0 0 0 0
12 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
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27 22 1 0 0 0 0
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23 29 1 0 0 0 0
24 30 1 0 0 0 0
27 31 1 0 0 0 0
25 18 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
35 36 2 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
38 39 1 0 0 0 0
39 40 2 0 0 0 0
40 41 1 0 0 0 0
41 42 2 0 0 0 0
42 37 1 0 0 0 0
40 43 1 0 0 0 0
28 44 1 0 0 0 0
44 45 2 0 0 0 0
44 46 1 0 0 0 0
30 47 1 0 0 0 0
47 48 2 0 0 0 0
47 49 1 0 0 0 0
S SKP 8
ID FL1C3CGS0008
KNApSAcK_ID C00007899
NAME Okanin 4'-(2'',4''-diacetyl-6''-p-coumarylglucoside)
CAS_RN 118853-82-0
FORMULA C34H32O15
EXACTMASS 680.174120354
AVERAGEMASS 680.60888
SMILES C(C(OCC(O2)C(C(C(C(Oc(c4)c(c(c(c4)C(=O)C=Cc(c3)cc(c(O)c3)O)O)O)2)OC(C)=O)O)OC(C)=O)=O)=Cc(c1)ccc(c1)O
M END
