Mol:FL2FCFNM0001
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 |
| − | -2.2456 -0.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2456 -0.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7247 -1.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7247 -1.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2038 -0.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2038 -0.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2038 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2038 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7247 0.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7247 0.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2456 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2456 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6829 -1.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6829 -1.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1621 -0.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1621 -0.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1621 -0.1273 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.1621 -0.1273 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.6829 0.1734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6829 0.1734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3583 0.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3583 0.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6829 -1.5534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6829 -1.5534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8927 -0.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8927 -0.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4270 0.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4270 0.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4270 0.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4270 0.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8927 1.0987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8927 1.0987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3583 0.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3583 0.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7247 -1.6304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7247 -1.6304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6750 -0.9767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6750 -0.9767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6028 0.4914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6028 0.4914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1028 1.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1028 1.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0992 1.6304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0992 1.6304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4612 2.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4612 2.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4270 0.7901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4270 0.7901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4270 0.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4270 0.7901 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 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 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 15 24 1 0 0 0 0 | + | 15 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 1.9605 1.0981 | + | M SVB 3 26 1.9605 1.0981 |
| − | 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 1.0992 1.6304 | + | M SVB 2 24 1.0992 1.6304 |
| − | 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 -2.6028 0.4914 | + | M SVB 1 22 -2.6028 0.4914 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FCFNM0001 | + | ID FL2FCFNM0001 |
| − | KNApSAcK_ID C00008488 | + | KNApSAcK_ID C00008488 |
| − | NAME 5-Hydroxy-7,3',4'-trimethoxy-6-C-methylflavanone | + | NAME 5-Hydroxy-7,3',4'-trimethoxy-6-C-methylflavanone |
| − | CAS_RN 151649-33-1 | + | CAS_RN 151649-33-1 |
| − | FORMULA C19H20O6 | + | FORMULA C19H20O6 |
| − | EXACTMASS 344.125988372 | + | EXACTMASS 344.125988372 |
| − | AVERAGEMASS 344.3585 | + | AVERAGEMASS 344.3585 |
| − | SMILES O(C(c(c3)cc(OC)c(OC)c3)2)c(c(C(=O)C2)1)cc(c(c1O)C)OC | + | SMILES O(C(c(c3)cc(OC)c(OC)c3)2)c(c(C(=O)C2)1)cc(c(c1O)C)OC |
M END | M END | ||
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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
-2.2456 -0.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7247 -1.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2038 -0.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2038 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7247 0.1734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2456 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6829 -1.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1621 -0.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1621 -0.1273 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.6829 0.1734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3583 0.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6829 -1.5534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8927 -0.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4270 0.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4270 0.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8927 1.0987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3583 0.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7247 -1.6304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6750 -0.9767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6028 0.4914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1028 1.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0992 1.6304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4612 2.5626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4270 0.7901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4270 0.7901 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
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 11 1 0 0 0 0
2 18 1 0 0 0 0
1 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
16 22 1 0 0 0 0
22 23 1 0 0 0 0
15 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 1.9605 1.0981
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 1.0992 1.6304
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 -2.6028 0.4914
S SKP 8
ID FL2FCFNM0001
KNApSAcK_ID C00008488
NAME 5-Hydroxy-7,3',4'-trimethoxy-6-C-methylflavanone
CAS_RN 151649-33-1
FORMULA C19H20O6
EXACTMASS 344.125988372
AVERAGEMASS 344.3585
SMILES O(C(c(c3)cc(OC)c(OC)c3)2)c(c(C(=O)C2)1)cc(c(c1O)C)OC
M END
