Mol:FL3FAACS0064
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 42 46 0 0 0 0 0 0 0 0999 V2000 | + | 42 46 0 0 0 0 0 0 0 0999 V2000 |
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| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 1 24 1 0 0 0 0 | + | 1 24 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 29 32 1 0 0 0 0 | + | 29 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 2 0 0 0 0 | + | 36 37 2 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 39 2 0 0 0 0 | + | 38 39 2 0 0 0 0 |
| − | 39 34 1 0 0 0 0 | + | 39 34 1 0 0 0 0 |
| − | 37 40 1 0 0 0 0 | + | 37 40 1 0 0 0 0 |
| − | 36 41 1 0 0 0 0 | + | 36 41 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAACS0064 | + | ID FL3FAACS0064 |
| − | KNApSAcK_ID C00011121 | + | KNApSAcK_ID C00011121 |
| − | NAME 2''-O-Vanilloylvitexin | + | NAME 2''-O-Vanilloylvitexin |
| − | CAS_RN 861691-31-8 | + | CAS_RN 861691-31-8 |
| − | FORMULA C29H26O13 | + | FORMULA C29H26O13 |
| − | EXACTMASS 582.137340918 | + | EXACTMASS 582.137340918 |
| − | AVERAGEMASS 582.5089399999999 | + | AVERAGEMASS 582.5089399999999 |
| − | SMILES c(c1)(c(O)ccc(C(=O)OC(C2c(c(O)5)c(O3)c(c(c5)O)C(=O)C=C3c(c4)ccc(c4)O)C(C(O)C(CO)O2)O)1)OC | + | SMILES c(c1)(c(O)ccc(C(=O)OC(C2c(c(O)5)c(O3)c(c(c5)O)C(=O)C=C3c(c4)ccc(c4)O)C(C(O)C(CO)O2)O)1)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
-0.5802 1.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0864 1.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0864 2.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5802 2.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2468 2.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2468 1.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7529 1.1718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4195 1.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4195 2.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7529 2.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0579 1.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0579 0.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6907 0.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3234 0.4574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3234 1.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6907 1.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7580 0.2065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7529 3.1687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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3 4 2 0 0 0 0
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6 1 1 0 0 0 0
2 7 1 0 0 0 0
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8 9 2 0 0 0 0
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10 3 1 0 0 0 0
8 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
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16 11 1 0 0 0 0
14 17 1 0 0 0 0
10 18 2 0 0 0 0
4 19 1 0 0 0 0
6 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
1 24 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
26 30 1 0 0 0 0
30 31 1 0 0 0 0
29 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
39 34 1 0 0 0 0
37 40 1 0 0 0 0
36 41 1 0 0 0 0
41 42 1 0 0 0 0
S SKP 8
ID FL3FAACS0064
KNApSAcK_ID C00011121
NAME 2''-O-Vanilloylvitexin
CAS_RN 861691-31-8
FORMULA C29H26O13
EXACTMASS 582.137340918
AVERAGEMASS 582.5089399999999
SMILES c(c1)(c(O)ccc(C(=O)OC(C2c(c(O)5)c(O3)c(c(c5)O)C(=O)C=C3c(c4)ccc(c4)O)C(C(O)C(CO)O2)O)1)OC
M END
