Mol:FL2FF8NI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0753 0.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0753 0.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0645 -0.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0645 -0.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3396 -1.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3396 -1.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3625 -0.6280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3625 -0.6280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3624 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3624 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3576 0.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3576 0.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0913 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0913 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7915 -0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7915 -0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7843 0.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7843 0.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0768 0.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0768 0.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4987 0.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4987 0.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2076 0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2076 0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9206 0.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9206 0.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9200 1.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9200 1.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2058 1.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2058 1.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4915 1.4592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4915 1.4592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0913 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0913 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7897 0.5940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7897 0.5940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3396 -1.8656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3396 -1.8656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2076 -0.6032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2076 -0.6032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3576 1.4343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3576 1.4343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0739 1.8479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0739 1.8479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7789 -1.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7789 -1.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4910 -0.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4910 -0.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2067 -1.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2067 -1.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2067 -1.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2067 -1.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9206 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9206 -0.6340 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 1 0 0 0 | + | 9 11 1 1 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 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 12 20 1 0 0 0 0 | + | 12 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 |
| − | 2 23 1 0 0 0 0 | + | 2 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 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 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FF8NI0001 | + | ID FL2FF8NI0001 |
| − | KNApSAcK_ID C00014166 | + | KNApSAcK_ID C00014166 |
| − | NAME Dioflorin;(2R)-5,7,2'-Trihydroxy-8-methoxy-6-prenylflavanone | + | NAME Dioflorin;(2R)-5,7,2'-Trihydroxy-8-methoxy-6-prenylflavanone |
| − | CAS_RN 204127-54-8 | + | CAS_RN 204127-54-8 |
| − | FORMULA C21H22O6 | + | FORMULA C21H22O6 |
| − | EXACTMASS 370.141638436 | + | EXACTMASS 370.141638436 |
| − | AVERAGEMASS 370.39578 | + | AVERAGEMASS 370.39578 |
| − | SMILES O(c12)C(c(c(O)3)cccc3)CC(c1c(c(CC=C(C)C)c(c2OC)O)O)=O | + | SMILES O(c12)C(c(c(O)3)cccc3)CC(c1c(c(CC=C(C)C)c(c2OC)O)O)=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/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.0753 0.1815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0645 -0.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3396 -1.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3625 -0.6280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3624 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3576 0.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0913 -1.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7915 -0.6278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7843 0.2094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0768 0.6096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4987 0.6219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2076 0.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9206 0.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9200 1.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2058 1.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4915 1.4592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0913 -1.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7897 0.5940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3396 -1.8656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2076 -0.6032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3576 1.4343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0739 1.8479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7789 -1.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4910 -0.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2067 -1.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2067 -1.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9206 -0.6340 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 1 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
3 19 1 0 0 0 0
12 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
2 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
S SKP 8
ID FL2FF8NI0001
KNApSAcK_ID C00014166
NAME Dioflorin;(2R)-5,7,2'-Trihydroxy-8-methoxy-6-prenylflavanone
CAS_RN 204127-54-8
FORMULA C21H22O6
EXACTMASS 370.141638436
AVERAGEMASS 370.39578
SMILES O(c12)C(c(c(O)3)cccc3)CC(c1c(c(CC=C(C)C)c(c2OC)O)O)=O
M END
