Mol:FLNAA9NI0001
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 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 0 0 0 0 0 0 0 0999 V2000 |
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| − | -0.1772 -0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1772 -0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2565 -0.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2565 -0.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6903 -0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6903 -0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6903 0.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6903 0.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2565 0.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2565 0.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1241 -0.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1241 -0.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5579 -0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5579 -0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5579 0.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5579 0.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1241 0.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1241 0.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9063 -0.4591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9063 -0.4591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6110 -0.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6110 -0.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2565 -1.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2565 -1.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6107 0.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6107 0.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0429 0.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0429 0.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4752 0.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4752 0.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9063 0.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9063 0.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4752 0.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4752 0.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6107 0.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6107 0.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6900 -1.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6900 -1.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6900 -1.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6900 -1.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1222 -2.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1222 -2.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1.1241 0.9939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1241 0.9939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1.1241 2.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1241 2.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.2565 0.9939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2565 0.9939 0.0000 O 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 |
| − | 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 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 8 11 2 0 0 0 0 | + | 8 11 2 0 0 0 0 |
| − | 2 12 1 0 0 0 0 | + | 2 12 1 0 0 0 0 |
| − | 13 3 1 0 0 0 0 | + | 13 3 1 0 0 0 0 |
| − | 1 14 1 0 0 0 0 | + | 1 14 1 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 14 19 2 0 0 0 0 | + | 14 19 2 0 0 0 0 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 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 |
| − | 10 24 1 0 0 0 0 | + | 10 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
| − | 6 30 1 0 0 0 0 | + | 6 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLNAA9NI0001 | + | ID FLNAA9NI0001 |
| − | KNApSAcK_ID C00002482 | + | KNApSAcK_ID C00002482 |
| − | NAME Mammeisin;Mammea A/AA;5,7-Dihydroxy-8-(3-methyl-2-butenyl)-6-(3-methylbutyryl)-4-phenylcoumarin | + | NAME Mammeisin;Mammea A/AA;5,7-Dihydroxy-8-(3-methyl-2-butenyl)-6-(3-methylbutyryl)-4-phenylcoumarin |
| − | CAS_RN 18483-64-2 | + | CAS_RN 18483-64-2 |
| − | FORMULA C25H26O5 | + | FORMULA C25H26O5 |
| − | EXACTMASS 406.178023942 | + | EXACTMASS 406.178023942 |
| − | AVERAGEMASS 406.47094 | + | AVERAGEMASS 406.47094 |
| − | SMILES O=C(O2)C=C(c(c3)cccc3)c(c21)c(c(C(CC(C)C)=O)c(O)c1CC=C(C)C)O | + | SMILES O=C(O2)C=C(c(c3)cccc3)c(c21)c(c(C(CC(C)C)=O)c(O)c1CC=C(C)C)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 32 0 0 0 0 0 0 0 0999 V2000
-0.1772 0.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1772 -0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2565 -0.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6903 -0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6903 0.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2565 0.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1241 -0.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5579 -0.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5579 0.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1241 0.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9063 -0.4591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6110 -0.5084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2565 -1.0093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6107 0.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0429 0.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4752 0.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9063 0.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4752 0.9910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6107 0.8562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6900 -1.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6900 -1.7586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1222 -2.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2577 -2.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1241 0.9939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5633 1.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5633 1.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1241 2.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6849 1.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6849 1.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2565 0.9939 0.0000 O 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
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
8 11 2 0 0 0 0
2 12 1 0 0 0 0
13 3 1 0 0 0 0
1 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
16 18 1 0 0 0 0
14 19 2 0 0 0 0
13 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
10 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 24 1 0 0 0 0
6 30 1 0 0 0 0
S SKP 8
ID FLNAA9NI0001
KNApSAcK_ID C00002482
NAME Mammeisin;Mammea A/AA;5,7-Dihydroxy-8-(3-methyl-2-butenyl)-6-(3-methylbutyryl)-4-phenylcoumarin
CAS_RN 18483-64-2
FORMULA C25H26O5
EXACTMASS 406.178023942
AVERAGEMASS 406.47094
SMILES O=C(O2)C=C(c(c3)cccc3)c(c21)c(c(C(CC(C)C)=O)c(O)c1CC=C(C)C)O
M END
