Mol:FL5FF8NS0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7289 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7289 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7289 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7289 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1726 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1726 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6163 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6163 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6163 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6163 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1726 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1726 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0600 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0600 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4963 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4963 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4963 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4963 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0600 0.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0600 0.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0600 -1.6148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0600 -1.6148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0524 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0524 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6194 -0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6194 -0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1863 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1863 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1863 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1863 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6194 1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6194 1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0524 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0524 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0524 -1.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0524 -1.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1726 -1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1726 -1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1726 0.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1726 0.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7179 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7179 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2278 1.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2278 1.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7179 1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7179 1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4856 1.1526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4856 1.1526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0862 0.4683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0862 0.4683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5863 1.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5863 1.3343 0.0000 C 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 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 2 0 0 0 0 | + | 21 23 2 0 0 0 0 |
| − | 17 24 1 0 0 0 0 | + | 17 24 1 0 0 0 0 |
| − | 1 25 1 0 0 0 0 | + | 1 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 2 25 26 | + | M SAL 1 2 25 26 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 27 -2.0862 0.4683 | + | M SVB 1 27 -2.0862 0.4683 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FF8NS0008 | + | ID FL5FF8NS0008 |
| − | KNApSAcK_ID C00004921 | + | KNApSAcK_ID C00004921 |
| − | NAME 3,5,8,2'-Tetrahydroxy-7-methoxyflavone 8-acetate | + | NAME 3,5,8,2'-Tetrahydroxy-7-methoxyflavone 8-acetate |
| − | CAS_RN 112161-56-5 | + | CAS_RN 112161-56-5 |
| − | FORMULA C18H14O8 | + | FORMULA C18H14O8 |
| − | EXACTMASS 358.068867424 | + | EXACTMASS 358.068867424 |
| − | AVERAGEMASS 358.29896 | + | AVERAGEMASS 358.29896 |
| − | SMILES c(c21)(O)cc(c(c(OC(c(c3)c(O)ccc3)=C(C2=O)O)1)OC(C)=O)OC | + | SMILES c(c21)(O)cc(c(c(OC(c(c3)c(O)ccc3)=C(C2=O)O)1)OC(C)=O)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-1.7289 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7289 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1726 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6163 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6163 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1726 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0600 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4963 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4963 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0600 0.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0600 -1.6148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0524 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6194 -0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1863 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1863 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6194 1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0524 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0524 -1.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1726 -1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1726 0.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7179 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2278 1.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7179 1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4856 1.1526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0862 0.4683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5863 1.3343 0.0000 C 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
8 18 1 0 0 0 0
3 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
21 23 2 0 0 0 0
17 24 1 0 0 0 0
1 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 -2.0862 0.4683
S SKP 8
ID FL5FF8NS0008
KNApSAcK_ID C00004921
NAME 3,5,8,2'-Tetrahydroxy-7-methoxyflavone 8-acetate
CAS_RN 112161-56-5
FORMULA C18H14O8
EXACTMASS 358.068867424
AVERAGEMASS 358.29896
SMILES c(c21)(O)cc(c(c(OC(c(c3)c(O)ccc3)=C(C2=O)O)1)OC(C)=O)OC
M END
