Mol:FL2FA9NI0004
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.8472 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8472 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8472 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8472 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2909 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2909 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2654 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2654 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2654 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2654 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2909 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2909 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8217 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8217 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3780 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3780 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3780 0.1513 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.3780 0.1513 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.8217 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8217 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9341 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9341 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5011 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5011 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0680 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0680 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0680 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0680 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5011 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5011 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9341 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9341 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8217 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8217 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2909 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2909 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4033 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4033 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9582 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9582 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5131 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5131 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5131 -1.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5131 -1.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0680 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0680 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2045 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2045 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7046 1.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7046 1.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 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 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 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 |
| − | 1 24 1 0 0 0 0 | + | 1 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 26 | + | M SBL 1 1 26 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 26 -1.2045 0.77 | + | M SVB 1 26 -1.2045 0.77 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA9NI0004 | + | ID FL2FA9NI0004 |
| − | KNApSAcK_ID C00008172 | + | KNApSAcK_ID C00008172 |
| − | NAME 5-Hydroxy-7-methoxy-6-C-prenylflavanone | + | NAME 5-Hydroxy-7-methoxy-6-C-prenylflavanone |
| − | CAS_RN 55051-79-1 | + | CAS_RN 55051-79-1 |
| − | FORMULA C21H22O4 | + | FORMULA C21H22O4 |
| − | EXACTMASS 338.151809192 | + | EXACTMASS 338.151809192 |
| − | AVERAGEMASS 338.39698 | + | AVERAGEMASS 338.39698 |
| − | SMILES COc(c(CC=C(C)C)1)cc(O2)c(C(=O)CC(c(c3)cccc3)2)c1O | + | SMILES COc(c(CC=C(C)C)1)cc(O2)c(C(=O)CC(c(c3)cccc3)2)c1O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-0.8472 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8472 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2909 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2654 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2654 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2909 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8217 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3780 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3780 0.1513 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.8217 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9341 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5011 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0680 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0680 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5011 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9341 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8217 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2909 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4033 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9582 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5131 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5131 -1.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0680 -0.4918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2045 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7046 1.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 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 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
3 18 1 0 0 0 0
2 19 1 0 0 0 0
19 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
1 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 26
M SMT 1 OCH3
M SVB 1 26 -1.2045 0.77
S SKP 8
ID FL2FA9NI0004
KNApSAcK_ID C00008172
NAME 5-Hydroxy-7-methoxy-6-C-prenylflavanone
CAS_RN 55051-79-1
FORMULA C21H22O4
EXACTMASS 338.151809192
AVERAGEMASS 338.39698
SMILES COc(c(CC=C(C)C)1)cc(O2)c(C(=O)CC(c(c3)cccc3)2)c1O
M END
