Mol:FL5FFANS0021
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3696 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3696 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3696 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3696 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8133 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8133 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2570 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2570 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2570 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2570 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8133 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8133 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7007 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7007 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1444 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1444 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1444 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1444 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7007 0.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7007 0.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7007 -1.6148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7007 -1.6148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4117 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4117 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9787 -0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9787 -0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5457 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5457 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5457 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5457 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9787 1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9787 1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4117 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4117 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4117 -1.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4117 -1.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8133 -1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8133 -1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8133 0.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8133 0.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3585 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3585 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8683 1.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8683 1.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3585 1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3585 1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1125 1.1526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1125 1.1526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8270 0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8270 0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7268 0.4683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7268 0.4683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2268 1.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2268 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 |
| − | 15 24 1 0 0 0 0 | + | 15 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 1 26 1 0 0 0 0 | + | 1 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 26 27 | + | M SAL 2 2 26 27 |
| − | M SBL 2 1 28 | + | M SBL 2 1 28 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 28 -2.7268 0.4683 | + | M SVB 2 28 -2.7268 0.4683 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 26 | + | M SBL 1 1 26 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 26 2.1125 1.1526 | + | M SVB 1 26 2.1125 1.1526 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FFANS0021 | + | ID FL5FFANS0021 |
| − | KNApSAcK_ID C00004926 | + | KNApSAcK_ID C00004926 |
| − | NAME Herbacetin 7,4'-dimethyl ether 8-acetate | + | NAME Herbacetin 7,4'-dimethyl ether 8-acetate |
| − | CAS_RN 69436-87-9 | + | CAS_RN 69436-87-9 |
| − | FORMULA C19H16O8 | + | FORMULA C19H16O8 |
| − | EXACTMASS 372.08451748799996 | + | EXACTMASS 372.08451748799996 |
| − | AVERAGEMASS 372.32554 | + | AVERAGEMASS 372.32554 |
| − | SMILES c(C(O2)=C(C(c(c(O)3)c2c(c(OC)c3)OC(C)=O)=O)O)(c1)ccc(OC)c1 | + | SMILES c(C(O2)=C(C(c(c(O)3)c2c(c(OC)c3)OC(C)=O)=O)O)(c1)ccc(OC)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/
27 29 0 0 0 0 0 0 0 0999 V2000
-2.3696 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3696 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8133 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2570 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2570 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8133 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7007 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1444 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1444 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7007 0.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7007 -1.6148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4117 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9787 -0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5457 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5457 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9787 1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4117 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4117 -1.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8133 -1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8133 0.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3585 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8683 1.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3585 1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1125 1.1526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8270 0.7401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7268 0.4683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2268 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
15 24 1 0 0 0 0
24 25 1 0 0 0 0
1 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 26 27
M SBL 2 1 28
M SMT 2 OCH3
M SVB 2 28 -2.7268 0.4683
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 26
M SMT 1 OCH3
M SVB 1 26 2.1125 1.1526
S SKP 8
ID FL5FFANS0021
KNApSAcK_ID C00004926
NAME Herbacetin 7,4'-dimethyl ether 8-acetate
CAS_RN 69436-87-9
FORMULA C19H16O8
EXACTMASS 372.08451748799996
AVERAGEMASS 372.32554
SMILES c(C(O2)=C(C(c(c(O)3)c2c(c(OC)c3)OC(C)=O)=O)O)(c1)ccc(OC)c1
M END
