Mol:FL2FAKNM0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3201 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3201 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3201 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3201 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7638 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7638 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2075 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2075 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2075 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2075 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7638 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7638 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6512 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6512 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0949 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0949 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0949 -0.1760 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.0949 -0.1760 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.6512 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6512 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4612 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4612 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0282 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0282 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5951 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5951 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5951 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5951 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0282 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0282 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4612 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4612 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6512 -1.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6512 -1.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7638 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7638 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8764 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8764 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0282 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0282 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7638 0.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7638 0.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8222 -1.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8222 -1.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1619 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1619 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8764 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8764 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4611 -0.3549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4611 -0.3549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3271 -0.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3271 -0.8550 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 |
| − | 19 1 1 0 0 0 0 | + | 19 1 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 14 23 1 0 0 0 0 | + | 14 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 13 25 1 0 0 0 0 | + | 13 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 25 26 | + | M SAL 2 2 25 26 |
| − | M SBL 2 1 27 | + | M SBL 2 1 27 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 27 1.8047 -0.0612 | + | M SVB 2 27 1.8047 -0.0612 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 23 24 | + | M SAL 1 2 23 24 |
| − | M SBL 1 1 25 | + | M SBL 1 1 25 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 25 2.1619 1.127 | + | M SVB 1 25 2.1619 1.127 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FAKNM0001 | + | ID FL2FAKNM0001 |
| − | KNApSAcK_ID C00008345 | + | KNApSAcK_ID C00008345 |
| − | NAME 5,7,3'-Trihydroxy-4',5'-dimethoxy-6,8-di-C-methylflavanone | + | NAME 5,7,3'-Trihydroxy-4',5'-dimethoxy-6,8-di-C-methylflavanone |
| − | CAS_RN 88839-96-7 | + | CAS_RN 88839-96-7 |
| − | FORMULA C19H20O7 | + | FORMULA C19H20O7 |
| − | EXACTMASS 360.120902994 | + | EXACTMASS 360.120902994 |
| − | AVERAGEMASS 360.3579 | + | AVERAGEMASS 360.3579 |
| − | SMILES c(c(OC)1)(OC)cc(C(O2)CC(c(c3O)c2c(c(c3C)O)C)=O)cc1O | + | SMILES c(c(OC)1)(OC)cc(C(O2)CC(c(c3O)c2c(c(c3C)O)C)=O)cc1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-2.3201 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3201 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7638 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2075 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2075 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7638 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6512 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0949 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0949 -0.1760 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.6512 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4612 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0282 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5951 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5951 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0282 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4612 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6512 -1.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7638 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8764 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0282 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7638 0.6243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8222 -1.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1619 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8764 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4611 -0.3549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3271 -0.8550 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
19 1 1 0 0 0 0
15 20 1 0 0 0 0
6 21 1 0 0 0 0
2 22 1 0 0 0 0
14 23 1 0 0 0 0
23 24 1 0 0 0 0
13 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 25 26
M SBL 2 1 27
M SMT 2 OCH3
M SVB 2 27 1.8047 -0.0612
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 23 24
M SBL 1 1 25
M SMT 1 OCH3
M SVB 1 25 2.1619 1.127
S SKP 8
ID FL2FAKNM0001
KNApSAcK_ID C00008345
NAME 5,7,3'-Trihydroxy-4',5'-dimethoxy-6,8-di-C-methylflavanone
CAS_RN 88839-96-7
FORMULA C19H20O7
EXACTMASS 360.120902994
AVERAGEMASS 360.3579
SMILES c(c(OC)1)(OC)cc(C(O2)CC(c(c3O)c2c(c(c3C)O)C)=O)cc1O
M END
