Mol:FL5FAANI0006
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 31 0 0 0 0 0 0 0 0999 V2000 | + | 29 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9626 -0.7334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9626 -0.7334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9626 -1.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9626 -1.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4063 -1.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4063 -1.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8500 -1.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8500 -1.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8500 -0.7334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8500 -0.7334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4063 -0.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4063 -0.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2937 -1.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2937 -1.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2626 -1.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2626 -1.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2626 -0.7334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2626 -0.7334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2937 -0.4123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2937 -0.4123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2937 -2.1978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2937 -2.1978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8187 -0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8187 -0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3857 -0.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3857 -0.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9527 -0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9527 -0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9527 0.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9527 0.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3857 0.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3857 0.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8187 0.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8187 0.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5195 -0.3828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5195 -0.3828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8424 -1.6822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8424 -1.6822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4063 -2.3391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4063 -2.3391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5195 0.5696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5195 0.5696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4063 0.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4063 0.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9624 0.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9624 0.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9624 1.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9624 1.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5185 1.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5185 1.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8502 0.5509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8502 0.5509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4063 1.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4063 1.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4063 2.3391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4063 2.3391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6918 1.1016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6918 1.1016 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 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 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 |
| − | 22 26 2 0 0 0 0 | + | 22 26 2 0 0 0 0 |
| − | 24 27 1 0 0 0 0 | + | 24 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 3 27 28 29 | + | M SAL 1 3 27 28 29 |
| − | M SBL 1 1 29 | + | M SBL 1 1 29 |
| − | M SMT 1 COOH | + | M SMT 1 COOH |
| − | M SBV 1 29 -7.2186 4.1664 | + | M SBV 1 29 -7.2186 4.1664 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAANI0006 | + | ID FL5FAANI0006 |
| − | KNApSAcK_ID C00005002 | + | KNApSAcK_ID C00005002 |
| − | NAME 3,5,7,4'-Tetrahydroxy-8-C-(3-methylsuccinoyl)flavone;3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-alpha-methyl-gamma,4-dioxo-4H-1-benzopyran-8-butanoic acid | + | NAME 3,5,7,4'-Tetrahydroxy-8-C-(3-methylsuccinoyl)flavone;3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-alpha-methyl-gamma,4-dioxo-4H-1-benzopyran-8-butanoic acid |
| − | CAS_RN 116368-96-8 | + | CAS_RN 116368-96-8 |
| − | FORMULA C20H16O9 | + | FORMULA C20H16O9 |
| − | EXACTMASS 400.07943210999997 | + | EXACTMASS 400.07943210999997 |
| − | AVERAGEMASS 400.33564 | + | AVERAGEMASS 400.33564 |
| − | SMILES c(c3)(ccc(O)c3)C(O1)=C(C(c(c2O)c1c(c(O)c2)C(CC(C)C(O)=O)=O)=O)O | + | SMILES c(c3)(ccc(O)c3)C(O1)=C(C(c(c2O)c1c(c(O)c2)C(CC(C)C(O)=O)=O)=O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
-1.9626 -0.7334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9626 -1.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4063 -1.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8500 -1.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8500 -0.7334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4063 -0.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2937 -1.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2626 -1.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2626 -0.7334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2937 -0.4123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2937 -2.1978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8187 -0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3857 -0.7397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9527 -0.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9527 0.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3857 0.5696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8187 0.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5195 -0.3828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8424 -1.6822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4063 -2.3391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5195 0.5696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4063 0.2299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9624 0.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9624 1.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5185 1.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8502 0.5509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4063 1.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4063 2.3391 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6918 1.1016 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
8 19 1 0 0 0 0
3 20 1 0 0 0 0
15 21 1 0 0 0 0
6 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
22 26 2 0 0 0 0
24 27 1 0 0 0 0
27 28 2 0 0 0 0
27 29 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 3 27 28 29
M SBL 1 1 29
M SMT 1 COOH
M SBV 1 29 -7.2186 4.1664
S SKP 8
ID FL5FAANI0006
KNApSAcK_ID C00005002
NAME 3,5,7,4'-Tetrahydroxy-8-C-(3-methylsuccinoyl)flavone;3,5,7-Trihydroxy-2-(4-hydroxyphenyl)-alpha-methyl-gamma,4-dioxo-4H-1-benzopyran-8-butanoic acid
CAS_RN 116368-96-8
FORMULA C20H16O9
EXACTMASS 400.07943210999997
AVERAGEMASS 400.33564
SMILES c(c3)(ccc(O)c3)C(O1)=C(C(c(c2O)c1c(c(O)c2)C(CC(C)C(O)=O)=O)=O)O
M END
