Mol:FL3FALNP0015
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.0669 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0669 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0669 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0669 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3525 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3525 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3620 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3620 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3620 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3620 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3525 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3525 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7814 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7814 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4959 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4959 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4959 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4959 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7814 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7814 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2104 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2104 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9248 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9248 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6393 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6393 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6393 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6393 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9248 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9248 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2104 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2104 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7814 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7814 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.3538 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.3538 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3525 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3525 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0765 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0765 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7909 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7909 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7909 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7909 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0765 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0765 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9248 -0.6174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9248 -0.6174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5042 0.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5042 0.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2175 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2175 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9308 0.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9308 0.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6429 0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6429 0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.3538 0.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.3538 0.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6429 -0.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6429 -0.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7909 1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7909 1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 1 7 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 10 2 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 19 6 1 0 0 0 0 | + | 19 6 1 0 0 0 0 |
| − | 4 20 1 0 0 0 0 | + | 4 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 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 5 1 0 0 0 0 | + | 23 5 1 0 0 0 0 |
| − | 12 24 1 0 0 0 0 | + | 12 24 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 21 31 1 0 0 0 0 | + | 21 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FALNP0015 | + | ID FL3FALNP0015 |
| − | KNApSAcK_ID C00013442 | + | KNApSAcK_ID C00013442 |
| − | NAME Australone A;2H,(-)-8-(2,4-Dihydroxyphenyl)-5-hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-6H-benzo[1,2-b:5,4-b']dipyran-6-one | + | NAME Australone A;2H,(-)-8-(2,4-Dihydroxyphenyl)-5-hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-6H-benzo[1,2-b:5,4-b']dipyran-6-one |
| − | CAS_RN 196705-71-2 | + | CAS_RN 196705-71-2 |
| − | FORMULA C25H24O6 | + | FORMULA C25H24O6 |
| − | EXACTMASS 420.1572885 | + | EXACTMASS 420.1572885 |
| − | AVERAGEMASS 420.45446 | + | AVERAGEMASS 420.45446 |
| − | SMILES C(c13)(=O)C=C(c(c4)c(O)cc(O)c4)Oc1cc(O2)c(c(O)3)C=CC(C)2CCC=C(C)C | + | SMILES C(c13)(=O)C=C(c(c4)c(O)cc(O)c4)Oc1cc(O2)c(c(O)3)C=CC(C)2CCC=C(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
1.0669 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0669 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3525 0.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3620 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3620 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3525 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7814 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4959 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4959 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7814 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2104 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9248 0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6393 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6393 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9248 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2104 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7814 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3538 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3525 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0765 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7909 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7909 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0765 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9248 -0.6174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5042 0.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2175 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9308 0.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6429 0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3538 0.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6429 -0.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7909 1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
1 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 2 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
7 17 2 0 0 0 0
14 18 1 0 0 0 0
19 6 1 0 0 0 0
4 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 5 1 0 0 0 0
12 24 1 0 0 0 0
21 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
21 31 1 0 0 0 0
S SKP 8
ID FL3FALNP0015
KNApSAcK_ID C00013442
NAME Australone A;2H,(-)-8-(2,4-Dihydroxyphenyl)-5-hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-6H-benzo[1,2-b:5,4-b']dipyran-6-one
CAS_RN 196705-71-2
FORMULA C25H24O6
EXACTMASS 420.1572885
AVERAGEMASS 420.45446
SMILES C(c13)(=O)C=C(c(c4)c(O)cc(O)c4)Oc1cc(O2)c(c(O)3)C=CC(C)2CCC=C(C)C
M END
