Mol:FL3FACGS0055
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 38 0 0 0 0 0 0 0 0999 V2000 | + | 35 38 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.2047 -0.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2047 -0.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2047 -0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2047 -0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6558 -1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6558 -1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1068 -0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1068 -0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1068 -0.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1068 -0.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6558 -0.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6558 -0.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5579 -1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5579 -1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0090 -0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0090 -0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0090 -0.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0090 -0.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5579 -0.0857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5579 -0.0857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5579 -1.5335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5579 -1.5335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4599 -0.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4599 -0.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9196 -0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9196 -0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3793 -0.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3793 -0.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3793 0.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3793 0.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9196 0.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9196 0.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4599 0.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4599 0.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3148 -0.0462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3148 -0.0462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6558 -1.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6558 -1.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9736 0.7882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9736 0.7882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9196 1.2412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9196 1.2412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0886 -0.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0886 -0.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5730 -0.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5730 -0.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8305 -0.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8305 -0.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1141 -0.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1141 -0.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6347 -0.0636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6347 -0.0636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3931 -0.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3931 -0.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6651 -0.5330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6651 -0.5330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3768 -0.9200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3768 -0.9200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4051 -1.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4051 -1.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7438 0.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7438 0.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7438 0.6748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7438 0.6748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -3.9736 0.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9736 0.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4162 1.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4162 1.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 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 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 33 35 2 0 0 0 0 | + | 33 35 2 0 0 0 0 |
| − | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FACGS0055 | + | ID FL3FACGS0055 |
| − | KNApSAcK_ID C00004316 | + | KNApSAcK_ID C00004316 |
| − | NAME Luteolin 7-(6''-acetylglucoside) | + | NAME Luteolin 7-(6''-acetylglucoside) |
| − | CAS_RN 60355-68-2 | + | CAS_RN 60355-68-2 |
| − | FORMULA C23H22O12 | + | FORMULA C23H22O12 |
| − | EXACTMASS 490.111126168 | + | EXACTMASS 490.111126168 |
| − | AVERAGEMASS 490.41358 | + | AVERAGEMASS 490.41358 |
| − | SMILES OC(C1O)C(Oc(c4)cc(c(c4O)2)OC(c(c3)ccc(c3O)O)=CC2=O)OC(COC(C)=O)C1O | + | SMILES OC(C1O)C(Oc(c4)cc(c(c4O)2)OC(c(c3)ccc(c3O)O)=CC2=O)OC(COC(C)=O)C1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
0.2047 -0.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2047 -0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6558 -1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1068 -0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1068 -0.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6558 -0.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5579 -1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0090 -0.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0090 -0.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5579 -0.0857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5579 -1.5335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4599 -0.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9196 -0.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3793 -0.0858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3793 0.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9196 0.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4599 0.4451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3148 -0.0462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6558 -1.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9736 0.7882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9196 1.2412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0886 -0.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5730 -0.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8305 -0.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1141 -0.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6347 -0.0636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3931 -0.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6651 -0.5330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3768 -0.9200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4051 -1.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7438 0.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7438 0.6748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4162 1.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9736 0.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4162 1.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
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 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
18 1 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
16 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
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
27 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
33 35 2 0 0 0 0
25 18 1 0 0 0 0
S SKP 8
ID FL3FACGS0055
KNApSAcK_ID C00004316
NAME Luteolin 7-(6''-acetylglucoside)
CAS_RN 60355-68-2
FORMULA C23H22O12
EXACTMASS 490.111126168
AVERAGEMASS 490.41358
SMILES OC(C1O)C(Oc(c4)cc(c(c4O)2)OC(c(c3)ccc(c3O)O)=CC2=O)OC(COC(C)=O)C1O
M END
