Mol:FL3FAACS0009
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 32 0 0 0 0 0 0 0 0999 V2000 | + | 29 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.9916 0.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9916 0.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.1210 -0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1210 -0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.6773 -0.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6773 -0.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.6773 -1.3813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6773 -1.3813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4353 -1.5226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4353 -1.5226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9134 0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9134 0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4996 0.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4996 0.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0859 0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0859 0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0859 1.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0859 1.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4996 1.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4996 1.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9134 1.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9134 1.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 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 |
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| − | 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 |
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| − | 3 12 1 0 0 0 0 | + | 3 12 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 9 13 1 0 0 0 0 | + | 9 13 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 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 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 2 23 1 0 0 0 0 | + | 2 23 1 0 0 0 0 |
| − | 1 28 1 0 0 0 0 | + | 1 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAACS0009 | + | ID FL3FAACS0009 |
| − | KNApSAcK_ID C00006100 | + | KNApSAcK_ID C00006100 |
| − | NAME Torosaflavone A | + | NAME Torosaflavone A |
| − | CAS_RN 124961-70-2 | + | CAS_RN 124961-70-2 |
| − | FORMULA C21H20O8 | + | FORMULA C21H20O8 |
| − | EXACTMASS 400.11581761599996 | + | EXACTMASS 400.11581761599996 |
| − | AVERAGEMASS 400.3787 | + | AVERAGEMASS 400.3787 |
| − | SMILES Oc(c1)ccc(C(=C4)Oc(c3)c(C(=O)4)c(O)c(c(O)3)C(C2)OC(C)C(O)C(O)2)c1 | + | SMILES Oc(c1)ccc(C(=C4)Oc(c3)c(C(=O)4)c(O)c(c(O)3)C(C2)OC(C)C(O)C(O)2)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 32 0 0 0 0 0 0 0 0999 V2000
-0.9916 0.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9916 -0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4353 -0.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1210 -0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1210 0.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4353 0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6773 -0.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2336 -0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2336 0.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6773 0.4042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6773 -1.3813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4353 -1.5226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9134 0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4996 0.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0859 0.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0859 1.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4996 1.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9134 1.1842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6717 1.5224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5450 -0.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0294 -1.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5137 -1.0719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7502 -1.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3075 -0.7007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8644 -0.9688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5167 -0.1884 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-1.5477 0.4041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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2 3 2 0 0 0 0
3 4 1 0 0 0 0
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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
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3 12 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 17 1 0 0 0 0
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18 13 1 0 0 0 0
9 13 1 0 0 0 0
16 19 1 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
20 26 1 0 0 0 0
21 27 1 0 0 0 0
2 23 1 0 0 0 0
1 28 1 0 0 0 0
25 29 1 0 0 0 0
S SKP 8
ID FL3FAACS0009
KNApSAcK_ID C00006100
NAME Torosaflavone A
CAS_RN 124961-70-2
FORMULA C21H20O8
EXACTMASS 400.11581761599996
AVERAGEMASS 400.3787
SMILES Oc(c1)ccc(C(=C4)Oc(c3)c(C(=O)4)c(O)c(c(O)3)C(C2)OC(C)C(O)C(O)2)c1
M END
