Mol:FL3FECNS0023
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8676 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8676 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8676 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8676 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3672 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3672 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8667 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8667 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8667 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8667 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3672 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3672 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3663 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3663 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1342 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1342 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1342 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1342 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3663 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3663 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6343 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6343 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1646 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1646 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6950 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6950 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6950 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6950 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1646 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1646 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6343 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6343 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3672 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3672 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3663 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3663 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2249 1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2249 1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5821 -0.3356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5821 -0.3356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5674 -0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5674 -0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5610 -0.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5610 -0.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4271 -0.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4271 -0.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2249 0.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2249 0.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7250 1.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7250 1.6032 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 7 18 2 0 0 0 0 | + | 7 18 2 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 1 24 1 0 0 0 0 | + | 1 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 24 25 | + | M SAL 3 2 24 25 |
| − | M SBL 3 1 26 | + | M SBL 3 1 26 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 26 -2.2249 0.7372 | + | M SVB 3 26 -2.2249 0.7372 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 24 1.8676 0.201 | + | M SVB 2 24 1.8676 0.201 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 22 -2.5821 -0.3356 | + | M SVB 1 22 -2.5821 -0.3356 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FECNS0023 | + | ID FL3FECNS0023 |
| − | KNApSAcK_ID C00013595 | + | KNApSAcK_ID C00013595 |
| − | NAME Cirsilineol;Anisomelin;Eupatrin;Fastigenin;5,4'-Dihydroxy-6,7,3'-trimethoxyflavone | + | NAME Cirsilineol;Anisomelin;Eupatrin;Fastigenin;5,4'-Dihydroxy-6,7,3'-trimethoxyflavone |
| − | CAS_RN 41365-32-6 | + | CAS_RN 41365-32-6 |
| − | FORMULA C18H16O7 | + | FORMULA C18H16O7 |
| − | EXACTMASS 344.089602866 | + | EXACTMASS 344.089602866 |
| − | AVERAGEMASS 344.31543999999997 | + | AVERAGEMASS 344.31543999999997 |
| − | SMILES O(C(c(c3)cc(OC)c(O)c3)=2)c(c(C(=O)C2)1)cc(c(c1O)OC)OC | + | SMILES O(C(c(c3)cc(OC)c(O)c3)=2)c(c(C(=O)C2)1)cc(c(c1O)OC)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/
25 27 0 0 0 0 0 0 0 0999 V2000
-1.8676 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8676 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3672 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8667 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8667 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3672 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3663 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1342 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1342 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3663 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6343 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1646 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6950 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6950 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1646 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6343 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3672 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3663 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2249 1.3256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5821 -0.3356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5674 -0.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5610 -0.0928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4271 -0.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2249 0.7372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7250 1.6032 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
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 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 11 1 0 0 0 0
3 17 1 0 0 0 0
7 18 2 0 0 0 0
14 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
13 22 1 0 0 0 0
22 23 1 0 0 0 0
1 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 24 25
M SBL 3 1 26
M SMT 3 OCH3
M SVB 3 26 -2.2249 0.7372
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 1.8676 0.201
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 -2.5821 -0.3356
S SKP 8
ID FL3FECNS0023
KNApSAcK_ID C00013595
NAME Cirsilineol;Anisomelin;Eupatrin;Fastigenin;5,4'-Dihydroxy-6,7,3'-trimethoxyflavone
CAS_RN 41365-32-6
FORMULA C18H16O7
EXACTMASS 344.089602866
AVERAGEMASS 344.31543999999997
SMILES O(C(c(c3)cc(OC)c(O)c3)=2)c(c(C(=O)C2)1)cc(c(c1O)OC)OC
M END
