Mol:FLIA2LNP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 34 0 0 0 0 0 0 0 0999 V2000 | + | 30 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9215 0.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9215 0.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9215 -0.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9215 -0.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3651 -0.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3651 -0.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8088 -0.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8088 -0.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8088 0.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8088 0.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3651 0.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3651 0.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2525 -0.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2525 -0.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3038 -0.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3038 -0.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3038 0.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3038 0.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2525 0.5663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2525 0.5663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8599 -0.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8599 -0.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8599 -1.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8599 -1.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4546 -1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4546 -1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0494 -1.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0494 -1.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0494 -0.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0494 -0.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4546 -0.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4546 -0.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2525 -1.3605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2525 -1.3605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4778 0.5663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4778 0.5663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3651 1.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3651 1.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9215 1.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9215 1.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4778 1.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4778 1.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1063 1.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1063 1.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0175 1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0175 1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7026 -1.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7026 -1.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1063 -1.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1063 -1.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7026 -0.5060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7026 -0.5060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1454 -1.3356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1454 -1.3356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8599 -1.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8599 -1.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6359 -0.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6359 -0.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9215 -0.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9215 -0.7183 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 |
| − | 8 11 1 0 0 0 0 | + | 8 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 18 1 0 0 0 0 | + | 21 18 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 14 24 1 0 0 0 0 | + | 14 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 15 1 0 0 0 0 | + | 26 15 1 0 0 0 0 |
| − | 12 27 1 0 0 0 0 | + | 12 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 2 29 1 0 0 0 0 | + | 2 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 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 27 28 | + | M SAL 1 2 27 28 |
| − | M SBL 1 1 31 | + | M SBL 1 1 31 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 31 -6.5505 2.7277 | + | M SBV 1 31 -6.5505 2.7277 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 29 30 | + | M SAL 2 2 29 30 |
| − | M SBL 2 1 33 | + | M SBL 2 1 33 |
| − | M SMT 2 ^OCH3 | + | M SMT 2 ^OCH3 |
| − | M SBV 2 33 -6.5505 2.7497 | + | M SBV 2 33 -6.5505 2.7497 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA2LNP0001 | + | ID FLIA2LNP0001 |
| − | KNApSAcK_ID C00009446 | + | KNApSAcK_ID C00009446 |
| − | NAME Ichthynone | + | NAME Ichthynone |
| − | CAS_RN 24340-62-3 | + | CAS_RN 24340-62-3 |
| − | FORMULA C23H20O7 | + | FORMULA C23H20O7 |
| − | EXACTMASS 408.120902994 | + | EXACTMASS 408.120902994 |
| − | AVERAGEMASS 408.40070000000003 | + | AVERAGEMASS 408.40070000000003 |
| − | SMILES c(O5)(c(OC5)4)cc(c(OC)c4)C(=C3)C(c(c2O3)cc(OC)c(c21)OC(C=C1)(C)C)=O | + | SMILES c(O5)(c(OC5)4)cc(c(OC)c4)C(=C3)C(c(c2O3)cc(OC)c(c21)OC(C=C1)(C)C)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 34 0 0 0 0 0 0 0 0999 V2000
-1.9215 0.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9215 -0.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3651 -0.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8088 -0.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8088 0.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3651 0.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2525 -0.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3038 -0.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3038 0.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2525 0.5663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8599 -0.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8599 -1.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4546 -1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0494 -1.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0494 -0.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4546 -0.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2525 -1.3605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4778 0.5663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3651 1.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9215 1.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4778 1.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1063 1.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0175 1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7026 -1.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1063 -1.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7026 -0.5060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1454 -1.3356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8599 -1.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6359 -0.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9215 -0.7183 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
8 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
7 17 2 0 0 0 0
18 1 1 0 0 0 0
6 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 18 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
14 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 15 1 0 0 0 0
12 27 1 0 0 0 0
27 28 1 0 0 0 0
2 29 1 0 0 0 0
29 30 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 31
M SMT 1 ^OCH3
M SBV 1 31 -6.5505 2.7277
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 29 30
M SBL 2 1 33
M SMT 2 ^OCH3
M SBV 2 33 -6.5505 2.7497
S SKP 8
ID FLIA2LNP0001
KNApSAcK_ID C00009446
NAME Ichthynone
CAS_RN 24340-62-3
FORMULA C23H20O7
EXACTMASS 408.120902994
AVERAGEMASS 408.40070000000003
SMILES c(O5)(c(OC5)4)cc(c(OC)c4)C(=C3)C(c(c2O3)cc(OC)c(c21)OC(C=C1)(C)C)=O
M END
