Mol:FL5FGCNS0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0816 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0816 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6378 -1.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6378 -1.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6379 -1.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6379 -1.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0815 -1.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0815 -1.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5253 -1.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5253 -1.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5253 -1.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5253 -1.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0816 -2.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0816 -2.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5252 -2.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5252 -2.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0310 -2.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0310 -2.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0310 -1.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0310 -1.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5153 -2.8809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5153 -2.8809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5871 -2.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5871 -2.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5872 -3.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5872 -3.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1541 -3.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1541 -3.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7211 -3.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7211 -3.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7211 -2.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7211 -2.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1541 -2.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1541 -2.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5253 -3.5938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5253 -3.5938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1939 -1.9880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1939 -1.9880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2879 -2.6243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2879 -2.6243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2879 -3.9335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2879 -3.9335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7243 -0.0847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7243 -0.0847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2242 0.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2242 0.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7963 -0.3219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7963 -0.3219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9394 -1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9394 -1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1100 -0.9789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1100 -0.9789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1074 -0.9072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1074 -0.9072 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 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 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 |
| − | 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 |
| − | 6 26 1 0 0 0 0 | + | 6 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 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 26 27 | + | M SAL 3 2 26 27 |
| − | M SBL 3 1 28 | + | M SBL 3 1 28 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 28 -1.0494 0.7182 | + | M SVB 3 28 -1.0494 0.7182 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 24 25 | + | M SAL 2 2 24 25 |
| − | M SBL 2 1 26 | + | M SBL 2 1 26 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 26 -2.5983 -0.7269 | + | M SVB 2 26 -2.5983 -0.7269 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 22 23 | + | M SAL 1 2 22 23 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 24 -2.241 0.4428 | + | M SVB 1 24 -2.241 0.4428 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FGCNS0006 | + | ID FL5FGCNS0006 |
| − | KNApSAcK_ID C00004791 | + | KNApSAcK_ID C00004791 |
| − | NAME 3,5,3',4'-Tetrahydroxy-6,7,8-trimethoxyflavone | + | NAME 3,5,3',4'-Tetrahydroxy-6,7,8-trimethoxyflavone |
| − | CAS_RN 102673-79-0 | + | CAS_RN 102673-79-0 |
| − | FORMULA C18H16O9 | + | FORMULA C18H16O9 |
| − | EXACTMASS 376.07943210999997 | + | EXACTMASS 376.07943210999997 |
| − | AVERAGEMASS 376.31424 | + | AVERAGEMASS 376.31424 |
| − | SMILES c(C(O2)=C(C(c(c3O)c2c(c(c3OC)OC)OC)=O)O)(c1)cc(O)c(O)c1 | + | SMILES c(C(O2)=C(C(c(c3O)c2c(c(c3OC)OC)OC)=O)O)(c1)cc(O)c(O)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.0816 -0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6378 -1.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6379 -1.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0815 -1.9881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5253 -1.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5253 -1.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0816 -2.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5252 -2.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0310 -2.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0310 -1.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5153 -2.8809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5871 -2.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5872 -3.6062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1541 -3.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7211 -3.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7211 -2.9516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1541 -2.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5253 -3.5938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1939 -1.9880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2879 -2.6243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2879 -3.9335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7243 -0.0847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2242 0.7813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7963 -0.3219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9394 -1.1344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1100 -0.9789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1074 -0.9072 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
3 19 1 0 0 0 0
16 20 1 0 0 0 0
15 21 1 0 0 0 0
1 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
6 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 26 27
M SBL 3 1 28
M SMT 3 OCH3
M SVB 3 28 -1.0494 0.7182
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 24 25
M SBL 2 1 26
M SMT 2 OCH3
M SVB 2 26 -2.5983 -0.7269
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 -2.241 0.4428
S SKP 8
ID FL5FGCNS0006
KNApSAcK_ID C00004791
NAME 3,5,3',4'-Tetrahydroxy-6,7,8-trimethoxyflavone
CAS_RN 102673-79-0
FORMULA C18H16O9
EXACTMASS 376.07943210999997
AVERAGEMASS 376.31424
SMILES c(C(O2)=C(C(c(c3O)c2c(c(c3OC)OC)OC)=O)O)(c1)cc(O)c(O)c1
M END
