Mol:FL3FACGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 38 41 0 0 0 0 0 0 0 0999 V2000 | + | 38 41 0 0 0 0 0 0 0 0999 V2000 |
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| − | -0.3452 -0.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3452 -0.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1.6566 -0.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6566 -0.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1562 0.1064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1562 0.1064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 2.6871 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6871 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 3.2174 0.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2174 0.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 2.1567 0.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1567 0.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.8453 0.1062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8453 0.1062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1562 -1.6265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1562 -1.6265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2121 -0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2121 -0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -3.7473 -0.4297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7473 -0.4297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3379 -0.6261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3379 -0.6261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9793 0.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9793 0.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9793 0.8077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9793 0.8077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.1008 1.6269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1008 1.6269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
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| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
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| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 7 19 2 0 0 0 0 | + | 7 19 2 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 23 18 1 0 0 0 0 | + | 23 18 1 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | 20 27 1 0 0 0 0 | + | 20 27 1 0 0 0 0 |
| − | 21 28 1 0 0 0 0 | + | 21 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 14 31 1 0 0 0 0 | + | 14 31 1 0 0 0 0 |
| − | 13 32 1 0 0 0 0 | + | 13 32 1 0 0 0 0 |
| − | 30 33 1 0 0 0 0 | + | 30 33 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 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 |
| − | 36 38 1 0 0 0 0 | + | 36 38 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FACGS0001 | + | ID FL3FACGS0001 |
| − | KNApSAcK_ID C00001067 | + | KNApSAcK_ID C00001067 |
| − | NAME Luteolin 7-O-(6''-malonylglucoside) | + | NAME Luteolin 7-O-(6''-malonylglucoside) |
| − | CAS_RN 98767-38-5 | + | CAS_RN 98767-38-5 |
| − | FORMULA C24H22O14 | + | FORMULA C24H22O14 |
| − | EXACTMASS 534.100955412 | + | EXACTMASS 534.100955412 |
| − | AVERAGEMASS 534.42308 | + | AVERAGEMASS 534.42308 |
| − | SMILES O=C(CC(O)=O)OCC(C(O)4)OC(C(C4O)O)Oc(c3)cc(c1c(O)3)OC(c(c2)cc(c(c2)O)O)=CC1=O | + | SMILES O=C(CC(O)=O)OCC(C(O)4)OC(C(C4O)O)Oc(c3)cc(c1c(O)3)OC(c(c2)cc(c(c2)O)O)=CC1=O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
38 41 0 0 0 0 0 0 0 0999 V2000
-0.3452 -0.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3452 -0.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1553 -1.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6557 -0.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6557 -0.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1553 0.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1562 -1.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6566 -0.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6566 -0.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1562 0.1064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1567 0.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6871 -0.2000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2174 0.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2174 0.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6871 1.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1567 0.7186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1553 -1.6269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8453 0.1062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1562 -1.6265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2121 -0.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.3710 -0.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.7473 -0.4297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3379 -0.6261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9793 0.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9793 0.8077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7473 1.0245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7473 -0.1997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5387 1.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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4 5 2 0 0 0 0
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6 1 2 0 0 0 0
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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
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
3 17 1 0 0 0 0
1 18 1 0 0 0 0
7 19 2 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
23 18 1 0 0 0 0
22 26 1 0 0 0 0
20 27 1 0 0 0 0
21 28 1 0 0 0 0
25 29 1 0 0 0 0
29 30 1 0 0 0 0
14 31 1 0 0 0 0
13 32 1 0 0 0 0
30 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
36 38 1 0 0 0 0
S SKP 8
ID FL3FACGS0001
KNApSAcK_ID C00001067
NAME Luteolin 7-O-(6''-malonylglucoside)
CAS_RN 98767-38-5
FORMULA C24H22O14
EXACTMASS 534.100955412
AVERAGEMASS 534.42308
SMILES O=C(CC(O)=O)OCC(C(O)4)OC(C(C4O)O)Oc(c3)cc(c1c(O)3)OC(c(c2)cc(c(c2)O)O)=CC1=O
M END
