Mol:FL2FF8NS0003
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | -1.7790 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7790 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7790 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7790 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2227 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2227 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6664 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6664 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6664 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6664 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2227 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2227 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1101 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1101 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4462 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4462 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4462 0.1513 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.4462 0.1513 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.1101 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1101 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0023 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0023 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5693 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5693 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1362 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1362 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1362 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1362 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5693 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5693 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0023 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0023 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1101 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1101 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2227 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2227 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4355 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4355 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9867 1.0212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9867 1.0212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5916 1.9398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5916 1.9398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1362 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1362 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6362 1.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6362 1.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1382 -0.0186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1382 -0.0186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8527 -0.4311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8527 -0.4311 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 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 12 24 1 0 0 0 0 | + | 12 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 24 25 | + | M SAL 3 2 24 25 |
| − | M SBL 3 1 26 | + | M SBL 3 1 26 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 26 1.1382 -0.0186 | + | M SVB 3 26 1.1382 -0.0186 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 24 -2.1362 0.77 | + | M SVB 2 24 -2.1362 0.77 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 22 -0.9867 1.0212 | + | M SVB 1 22 -0.9867 1.0212 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FF8NS0003 | + | ID FL2FF8NS0003 |
| − | KNApSAcK_ID C00008341 | + | KNApSAcK_ID C00008341 |
| − | NAME 5,2'-Dihydroxy-7,8,6'-trimethoxyflavanone | + | NAME 5,2'-Dihydroxy-7,8,6'-trimethoxyflavanone |
| − | CAS_RN 100079-35-4 | + | CAS_RN 100079-35-4 |
| − | FORMULA C18H18O7 | + | FORMULA C18H18O7 |
| − | EXACTMASS 346.10525293 | + | EXACTMASS 346.10525293 |
| − | AVERAGEMASS 346.33132 | + | AVERAGEMASS 346.33132 |
| − | SMILES c(c(C(O2)CC(c(c(O)3)c2c(c(OC)c3)OC)=O)1)(OC)cccc1O | + | SMILES c(c(C(O2)CC(c(c(O)3)c2c(c(OC)c3)OC)=O)1)(OC)cccc1O |
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
-1.7790 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7790 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6664 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6664 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1101 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4462 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4462 0.1513 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.1101 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0023 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1362 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1362 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0023 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1101 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4355 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9867 1.0212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5916 1.9398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1362 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6362 1.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1382 -0.0186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8527 -0.4311 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
16 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
1 22 1 0 0 0 0
22 23 1 0 0 0 0
12 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 24 25
M SBL 3 1 26
M SMT 3 OCH3
M SVB 3 26 1.1382 -0.0186
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 -2.1362 0.77
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 -0.9867 1.0212
S SKP 8
ID FL2FF8NS0003
KNApSAcK_ID C00008341
NAME 5,2'-Dihydroxy-7,8,6'-trimethoxyflavanone
CAS_RN 100079-35-4
FORMULA C18H18O7
EXACTMASS 346.10525293
AVERAGEMASS 346.33132
SMILES c(c(C(O2)CC(c(c(O)3)c2c(c(OC)c3)OC)=O)1)(OC)cccc1O
M END
