Mol:FL1A3CGS0004
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 |
| − | 0.5640 -1.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5640 -1.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5640 -0.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5640 -0.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0447 -0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0447 -0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4745 -0.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4745 -0.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4745 -1.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4745 -1.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0447 -1.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0447 -1.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1342 -1.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1342 -1.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4866 -0.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4866 -0.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1342 -0.2455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1342 -0.2455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9937 -0.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9937 -0.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9283 -0.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9283 -0.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8122 -0.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8122 -0.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1125 -1.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1125 -1.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7130 -1.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7130 -1.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0133 -0.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0133 -0.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7130 -0.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7130 -0.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1125 -0.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1125 -0.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6128 -0.7305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6128 -0.7305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2785 -1.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2785 -1.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0128 0.3088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0128 0.3088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1532 -0.1464 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.1532 -0.1464 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.7821 -0.6364 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.7821 -0.6364 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.2476 -0.4285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.2476 -0.4285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
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| − | -3.7442 -0.0947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7442 -0.0947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9048 -1.2024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9048 -1.2024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9413 -0.9426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9413 -0.9426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2336 0.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2336 0.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -4.5302 0.4316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5302 0.4316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6321 -0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6321 -0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 2 1 0 0 0 0 | + | 9 2 1 0 0 0 0 |
| − | 4 10 1 0 0 0 0 | + | 4 10 1 0 0 0 0 |
| − | 8 11 2 0 0 0 0 | + | 8 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 7 19 2 0 0 0 0 | + | 7 19 2 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 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 |
| − | 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 |
| − | 24 10 1 0 0 0 0 | + | 24 10 1 0 0 0 0 |
| − | 3 31 1 0 0 0 0 | + | 3 31 1 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 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 |
| − | 27 36 1 0 0 0 0 | + | 27 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 FL1A3CGS0004 | + | ID FL1A3CGS0004 |
| − | KNApSAcK_ID C00008053 | + | KNApSAcK_ID C00008053 |
| − | NAME 6,7,3',4'-Tetrahydroxyaurone 6-(4'',6''-diacetylglucoside) | + | NAME 6,7,3',4'-Tetrahydroxyaurone 6-(4'',6''-diacetylglucoside) |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C25H24O13 | + | FORMULA C25H24O13 |
| − | EXACTMASS 532.121690854 | + | EXACTMASS 532.121690854 |
| − | AVERAGEMASS 532.45026 | + | AVERAGEMASS 532.45026 |
| − | SMILES CC(=O)O[C@H]([C@@H]4O)C(COC(C)=O)O[C@H]([C@H]4O)Oc(c(O)1)ccc(c(=O)2)c(oc2=Cc(c3)cc(c(O)c3)O)1 | + | SMILES CC(=O)O[C@H]([C@@H]4O)C(COC(C)=O)O[C@H]([C@H]4O)Oc(c(O)1)ccc(c(=O)2)c(oc2=Cc(c3)cc(c(O)c3)O)1 |
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
0.5640 -1.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5640 -0.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0447 -0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4745 -0.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4745 -1.0303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0447 -1.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1342 -1.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4866 -0.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1342 -0.2455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9937 -0.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9283 -0.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8122 -0.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1125 -1.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7130 -1.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0133 -0.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7130 -0.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1125 -0.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6128 -0.7305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2785 -1.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0128 0.3088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1532 -0.1464 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.7821 -0.6364 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
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-1.7318 -0.4229 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
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-2.5742 -0.2949 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
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-3.2336 0.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-4.6321 -0.5082 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
1 7 1 0 0 0 0
7 8 1 0 0 0 0
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9 2 1 0 0 0 0
4 10 1 0 0 0 0
8 11 2 0 0 0 0
11 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
15 18 1 0 0 0 0
7 19 2 0 0 0 0
16 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
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
24 10 1 0 0 0 0
3 31 1 0 0 0 0
30 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
27 36 1 0 0 0 0
36 37 2 0 0 0 0
36 38 1 0 0 0 0
S SKP 8
ID FL1A3CGS0004
KNApSAcK_ID C00008053
NAME 6,7,3',4'-Tetrahydroxyaurone 6-(4'',6''-diacetylglucoside)
CAS_RN -
FORMULA C25H24O13
EXACTMASS 532.121690854
AVERAGEMASS 532.45026
SMILES CC(=O)O[C@H]([C@@H]4O)C(COC(C)=O)O[C@H]([C@H]4O)Oc(c(O)1)ccc(c(=O)2)c(oc2=Cc(c3)cc(c(O)c3)O)1
M END
