Mol:FL5FECNS0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8838 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8838 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8838 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8838 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3275 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3275 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7712 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7712 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7712 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7712 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3275 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3275 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2149 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2149 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3414 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3414 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3414 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3414 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2149 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2149 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2149 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2149 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8975 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8975 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4645 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4645 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0315 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0315 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0315 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0315 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4645 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4645 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8975 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8975 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8975 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8975 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4399 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4399 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3275 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3275 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4645 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4645 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5983 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5983 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5983 -0.7269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5983 -0.7269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8838 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8838 -1.1394 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 2 0 0 0 0 | + | 8 9 2 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 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 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 2 23 1 0 0 0 0 | + | 2 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 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 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 SBV 1 25 -7.2141 3.4423 | + | M SBV 1 25 -7.2141 3.4423 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FECNS0005 | + | ID FL5FECNS0005 |
| − | KNApSAcK_ID C00004680 | + | KNApSAcK_ID C00004680 |
| − | NAME Patuletin;3,5,7,3',4'-Pentahydroxy-6-methoxyflavone;6-Methoxyquercetin;2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-6-methoxy-4H-1-benzopyran-4-one | + | NAME Patuletin;3,5,7,3',4'-Pentahydroxy-6-methoxyflavone;6-Methoxyquercetin;2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-6-methoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 519-96-0 | + | CAS_RN 519-96-0 |
| − | FORMULA C16H12O8 | + | FORMULA C16H12O8 |
| − | EXACTMASS 332.05321735999996 | + | EXACTMASS 332.05321735999996 |
| − | AVERAGEMASS 332.26168 | + | AVERAGEMASS 332.26168 |
| − | SMILES COc(c(O)3)c(O)c(C(=O)1)c(c3)OC(c(c2)cc(O)c(O)c2)=C(O)1 | + | SMILES COc(c(O)3)c(O)c(C(=O)1)c(c3)OC(c(c2)cc(O)c(O)c2)=C(O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-1.8838 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8838 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3275 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7712 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7712 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3275 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2149 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3414 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3414 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2149 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2149 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8975 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4645 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0315 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0315 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4645 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8975 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8975 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4399 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3275 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4645 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5983 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5983 -0.7269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8838 -1.1394 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 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 12 1 0 0 0 0
8 18 1 0 0 0 0
1 19 1 0 0 0 0
3 20 1 0 0 0 0
16 21 1 0 0 0 0
15 22 1 0 0 0 0
2 23 1 0 0 0 0
23 24 1 0 0 0 0
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 SBV 1 25 -7.2141 3.4423
S SKP 8
ID FL5FECNS0005
KNApSAcK_ID C00004680
NAME Patuletin;3,5,7,3',4'-Pentahydroxy-6-methoxyflavone;6-Methoxyquercetin;2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-6-methoxy-4H-1-benzopyran-4-one
CAS_RN 519-96-0
FORMULA C16H12O8
EXACTMASS 332.05321735999996
AVERAGEMASS 332.26168
SMILES COc(c(O)3)c(O)c(C(=O)1)c(c3)OC(c(c2)cc(O)c(O)c2)=C(O)1
M END
