Mol:FL2FALNI0037
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 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
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| − | -1.5542 -1.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5542 -1.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7770 -1.5773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7770 -1.5773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1222 -1.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1222 -1.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.6327 -1.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6327 -1.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3065 -1.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3065 -1.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2973 -0.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2973 -0.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6134 0.0489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6134 0.0489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0118 0.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0118 0.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7029 -0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7029 -0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4142 0.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4142 0.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4347 0.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4347 0.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7230 1.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7230 1.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0026 0.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0026 0.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6327 -2.3434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6327 -2.3434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2872 0.0243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2872 0.0243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1365 1.3201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1365 1.3201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.8337 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8337 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6040 1.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6040 1.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2565 0.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2565 0.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.0597 2.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0597 2.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1737 2.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1737 2.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7029 -1.0558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7029 -1.0558 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 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 6 0 0 0 | + | 9 11 1 6 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 22 28 1 1 0 0 0 | + | 22 28 1 1 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 12 31 1 0 0 0 0 | + | 12 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FALNI0037 | + | ID FL2FALNI0037 |
| − | KNApSAcK_ID C00014194 | + | KNApSAcK_ID C00014194 |
| − | NAME Remangiflavanone B;5,7,2',4'-Tetrahydroxy-8-(2-isopropyl-5-methyl-5-hexenyl)flavanone | + | NAME Remangiflavanone B;5,7,2',4'-Tetrahydroxy-8-(2-isopropyl-5-methyl-5-hexenyl)flavanone |
| − | CAS_RN 289681-43-2 | + | CAS_RN 289681-43-2 |
| − | FORMULA C25H28O6 | + | FORMULA C25H28O6 |
| − | EXACTMASS 424.188588628 | + | EXACTMASS 424.188588628 |
| − | AVERAGEMASS 424.48622 | + | AVERAGEMASS 424.48622 |
| − | SMILES c(c3O)c(c(C(=O)1)c(c3CC(C(C)=C)CCC(C)=C)OC(c(c2)c(O)cc(O)c2)C1)O | + | SMILES c(c3O)c(c(C(=O)1)c(c3CC(C(C)=C)CCC(C)=C)OC(c(c2)c(O)cc(O)c2)C1)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/
31 33 0 0 0 0 0 0 0 0999 V2000
-1.5728 -0.3882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5542 -1.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7770 -1.5773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1222 -1.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1080 -0.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8337 0.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6327 -1.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3065 -1.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2973 -0.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6134 0.0489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0118 0.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7029 -0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4142 0.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4347 0.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7230 1.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0026 0.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6327 -2.3434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2872 0.0243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1365 1.3201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7770 -2.2933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8337 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6040 1.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2565 0.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8898 1.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5896 0.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5896 0.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1365 1.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6040 2.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0597 2.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1737 2.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7029 -1.0558 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 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 6 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
1 18 1 0 0 0 0
14 19 1 0 0 0 0
3 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
25 27 1 0 0 0 0
22 28 1 1 0 0 0
28 29 2 0 0 0 0
28 30 1 0 0 0 0
12 31 1 0 0 0 0
S SKP 8
ID FL2FALNI0037
KNApSAcK_ID C00014194
NAME Remangiflavanone B;5,7,2',4'-Tetrahydroxy-8-(2-isopropyl-5-methyl-5-hexenyl)flavanone
CAS_RN 289681-43-2
FORMULA C25H28O6
EXACTMASS 424.188588628
AVERAGEMASS 424.48622
SMILES c(c3O)c(c(C(=O)1)c(c3CC(C(C)=C)CCC(C)=C)OC(c(c2)c(O)cc(O)c2)C1)O
M END
