Mol:FL2F1LNI0004
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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| − | -1.5093 -1.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5093 -1.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7322 -1.5773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7322 -1.5773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.0632 -0.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0632 -0.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.6776 -1.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6776 -1.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3514 -1.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3514 -1.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3422 -0.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3422 -0.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6583 0.0489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6583 0.0489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0567 0.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0567 0.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7477 -0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7477 -0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4591 0.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4591 0.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4796 0.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4796 0.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7678 1.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7678 1.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0474 0.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0474 0.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6776 -2.3434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6776 -2.3434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2424 0.0243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2424 0.0243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7888 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7888 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5591 1.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5591 1.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2116 0.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2116 0.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8449 1.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8449 1.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5448 0.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5448 0.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0917 1.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0917 1.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5591 2.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5591 2.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.1289 2.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1289 2.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5448 0.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5448 0.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0917 1.2683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0917 1.2683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7477 -1.0397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7477 -1.0397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4819 -1.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4819 -1.4636 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 |
| − | 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 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 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 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 20 25 1 1 0 0 0 | + | 20 25 1 1 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 |
| − | 23 28 1 0 0 0 0 | + | 23 28 1 0 0 0 0 |
| − | 14 29 1 0 0 0 0 | + | 14 29 1 0 0 0 0 |
| − | 12 30 1 0 0 0 0 | + | 12 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F1LNI0004 | + | ID FL2F1LNI0004 |
| − | KNApSAcK_ID C00014193 | + | KNApSAcK_ID C00014193 |
| − | NAME Alopecurone G;7,4'-Dihydroxy-8-lavandulyl-2'-methoxyflavanone | + | NAME Alopecurone G;7,4'-Dihydroxy-8-lavandulyl-2'-methoxyflavanone |
| − | CAS_RN 162558-93-2 | + | CAS_RN 162558-93-2 |
| − | FORMULA C26H30O5 | + | FORMULA C26H30O5 |
| − | EXACTMASS 422.20932407 | + | EXACTMASS 422.20932407 |
| − | AVERAGEMASS 422.5134 | + | AVERAGEMASS 422.5134 |
| − | SMILES O(c(c1C(O3)CC(=O)c(c23)ccc(c2CC(C(C)=C)CC=C(C)C)O)cc(cc1)O)C | + | SMILES O(c(c1C(O3)CC(=O)c(c23)ccc(c2CC(C(C)=C)CC=C(C)C)O)cc(cc1)O)C |
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
-1.5279 -0.3882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5093 -1.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7322 -1.5773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0773 -1.1762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0632 -0.3513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7888 0.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6776 -1.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3514 -1.2007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3422 -0.3344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6583 0.0489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0567 0.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7477 -0.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4591 0.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4796 0.9149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7678 1.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0474 0.9445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6776 -2.3434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2424 0.0243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7888 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5591 1.3197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2116 0.9430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8449 1.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5448 0.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0917 1.2203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5591 2.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0148 2.3287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1289 2.3434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5448 0.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0917 1.2683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7477 -1.0397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4819 -1.4636 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
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
6 19 1 0 0 0 0
19 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 24 1 0 0 0 0
20 25 1 1 0 0 0
25 26 2 0 0 0 0
25 27 1 0 0 0 0
23 28 1 0 0 0 0
14 29 1 0 0 0 0
12 30 1 0 0 0 0
30 31 1 0 0 0 0
S SKP 8
ID FL2F1LNI0004
KNApSAcK_ID C00014193
NAME Alopecurone G;7,4'-Dihydroxy-8-lavandulyl-2'-methoxyflavanone
CAS_RN 162558-93-2
FORMULA C26H30O5
EXACTMASS 422.20932407
AVERAGEMASS 422.5134
SMILES O(c(c1C(O3)CC(=O)c(c23)ccc(c2CC(C(C)=C)CC=C(C)C)O)cc(cc1)O)C
M END
