Mol:FL2FE8NS0003
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 |
| − | -1.6004 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6004 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6004 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6004 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0441 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0441 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4878 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4878 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4878 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4878 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0441 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0441 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0685 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0685 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6248 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6248 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6248 0.1513 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.6248 0.1513 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.0685 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0685 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1809 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1809 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7479 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7479 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3149 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3149 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3149 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3149 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7479 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7479 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1809 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1809 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0685 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0685 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0441 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0441 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6141 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6141 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9576 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9576 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4576 1.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4576 1.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3168 -0.0186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3168 -0.0186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0313 -0.4311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0313 -0.4311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3149 -0.3273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3149 -0.3273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2896 -0.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2896 -0.1038 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 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 12 22 1 0 0 0 0 | + | 12 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 2 24 1 0 0 0 0 | + | 2 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 -2.3149 -0.3273 | + | M SVB 3 26 -2.3149 -0.3273 |
| − | 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 1.3168 -0.0186 | + | M SVB 2 24 1.3168 -0.0186 |
| − | 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 -1.9576 0.77 | + | M SVB 1 22 -1.9576 0.77 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FE8NS0003 | + | ID FL2FE8NS0003 |
| − | KNApSAcK_ID C00008340 | + | KNApSAcK_ID C00008340 |
| − | NAME 5,2'-Dihydroxy-6,7,6'-trimethoxyflavanone | + | NAME 5,2'-Dihydroxy-6,7,6'-trimethoxyflavanone |
| − | CAS_RN 100079-36-5 | + | CAS_RN 100079-36-5 |
| − | FORMULA C18H18O7 | + | FORMULA C18H18O7 |
| − | EXACTMASS 346.10525293 | + | EXACTMASS 346.10525293 |
| − | AVERAGEMASS 346.33132 | + | AVERAGEMASS 346.33132 |
| − | SMILES c(c(C(O2)CC(c(c3O)c2cc(c3OC)OC)=O)1)(OC)cccc1O | + | SMILES c(c(C(O2)CC(c(c3O)c2cc(c3OC)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
-1.6004 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6004 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0441 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4878 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4878 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0441 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0685 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6248 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6248 0.1513 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0685 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1809 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7479 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3149 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3149 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7479 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1809 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0685 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0441 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6141 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9576 0.7700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4576 1.6360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3168 -0.0186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0313 -0.4311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3149 -0.3273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2896 -0.1038 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
1 20 1 0 0 0 0
20 21 1 0 0 0 0
12 22 1 0 0 0 0
22 23 1 0 0 0 0
2 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 -2.3149 -0.3273
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 1.3168 -0.0186
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 -1.9576 0.77
S SKP 8
ID FL2FE8NS0003
KNApSAcK_ID C00008340
NAME 5,2'-Dihydroxy-6,7,6'-trimethoxyflavanone
CAS_RN 100079-36-5
FORMULA C18H18O7
EXACTMASS 346.10525293
AVERAGEMASS 346.33132
SMILES c(c(C(O2)CC(c(c3O)c2cc(c3OC)OC)=O)1)(OC)cccc1O
M END
