Editor at 00:00, 14 March 2009

2009-03-14T00:00:00Z

Editor at 00:00, 7 October 2008

2008-10-07T00:00:00Z

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<pre>

Copyright: ARM project http://www.metabolome.jp/
82 89 0 0 0 0 0 0 0 0999 V2000
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2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
1 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
20 8 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
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24 29 1 0 0 0 0
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34 33 1 1 0 0 0
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35 36 1 0 0 0 0
36 31 1 0 0 0 0
31 37 1 0 0 0 0
32 38 1 0 0 0 0
33 39 1 0 0 0 0
36 40 1 0 0 0 0
40 41 1 0 0 0 0
34 19 1 0 0 0 0
25 42 1 0 0 0 0
42 43 1 0 0 0 0
44 45 2 0 0 0 0
44 46 1 0 0 0 0
46 47 2 0 0 0 0
47 48 1 0 0 0 0
44 43 1 0 0 0 0
48 49 2 0 0 0 0
49 50 1 0 0 0 0
50 51 2 0 0 0 0
51 52 1 0 0 0 0
52 53 2 0 0 0 0
53 48 1 0 0 0 0
51 54 1 0 0 0 0
55 56 1 1 0 0 0
56 57 1 1 0 0 0
58 57 1 1 0 0 0
58 59 1 0 0 0 0
59 60 1 0 0 0 0
60 55 1 0 0 0 0
55 61 1 0 0 0 0
57 62 1 0 0 0 0
63 64 2 0 0 0 0
63 65 1 0 0 0 0
65 66 2 0 0 0 0
66 67 1 0 0 0 0
67 68 2 0 0 0 0
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69 70 2 0 0 0 0
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71 72 2 0 0 0 0
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77 78 1 0 0 0 0
50 79 1 0 0 0 0
79 80 1 0 0 0 0
69 81 1 0 0 0 0
81 82 1 0 0 0 0
M STY 1 5 SUP
M SLB 1 5 5
M SAL 5 2 75 76
M SBL 5 1 82
M SMT 5 CH2OH
M SVB 5 82 -0.6865 -1.8031
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 40 41
M SBL 4 1 42
M SMT 4 CH2OH
M SVB 4 42 -4.677 -0.3427
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 81 82
M SBL 3 1 88
M SMT 3 OCH3
M SVB 3 88 3.9979 -2.1078
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 79 80
M SBL 2 1 86
M SMT 2 OCH3
M SVB 2 86 4.5905 4.0067
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 77 78
M SBL 1 1 84
M SMT 1 OCH3
M SVB 1 84 3.495 -4.2419
S SKP 8
ID FL7AACGL0077
KNApSAcK_ID C00006853
NAME Cyanidin 3-(6''-ferulyl-2'''-sinapylsophoroside)-5-glucoside
CAS_RN 117894-46-9,124088-76-2,110202-92-1
FORMULA C54H59O28
EXACTMASS 1155.3192863040001
AVERAGEMASS 1156.0294600000002
SMILES Oc(c8)c(cc(c8)c(c3O[C@H]([C@@H]5O[C@H](O6)[C@@H](OC(=O)C=Cc(c7)cc(c(c(OC)7)O)OC)[C@H]([C@@H](O)C6CO)O)OC([C@H]([C@@H](O)5)O)COC(=O)C=Cc(c4)cc(c(c4)O)OC)[o+1]c(c2)c(c3)c(cc2O)O[C@@H]([C@H]1O)OC(CO)[C@@H]([C@@H]1O)O)O
M END
</pre>

Mol:FL7AACGL0077 - Revision history

Editor at 00:00, 14 March 2009

Editor at 00:00, 7 October 2008