Mol:FL5FGCNS0003
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 |
| − | -1.3441 -0.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3441 -0.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7125 -0.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7125 -0.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4411 -1.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4411 -1.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8011 -1.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8011 -1.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4327 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4327 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7042 -0.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7042 -0.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5297 -2.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5297 -2.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1102 -2.1837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1102 -2.1837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4787 -1.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4787 -1.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2072 -1.0754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2072 -1.0754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8169 -2.5380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8169 -2.5380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1184 -1.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1184 -1.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3951 -2.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3951 -2.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0473 -2.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0473 -2.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4228 -1.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4228 -1.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1461 -1.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1461 -1.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4939 -1.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4939 -1.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3816 -2.7657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3816 -2.7657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6155 0.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6155 0.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8094 -2.0156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8094 -2.0156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5215 -0.6982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5215 -0.6982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0748 -1.8847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0748 -1.8847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1477 -0.1274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1477 -0.1274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7259 0.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7259 0.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1531 -0.3375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1531 -0.3375 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 |
| − | 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 |
| − | 6 23 1 0 0 0 0 | + | 6 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 2 25 1 0 0 0 0 | + | 2 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 -2.5983 -0.7269 | + | M SVB 2 27 -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 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 -1.0494 0.7182 | + | M SVB 1 25 -1.0494 0.7182 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FGCNS0003 | + | ID FL5FGCNS0003 |
| − | KNApSAcK_ID C00004788 | + | KNApSAcK_ID C00004788 |
| − | NAME 3,5,7,3',4'-Pentahydroxy-6,8-dimethoxyflavone | + | NAME 3,5,7,3',4'-Pentahydroxy-6,8-dimethoxyflavone |
| − | CAS_RN 96887-23-9 | + | CAS_RN 96887-23-9 |
| − | FORMULA C17H14O9 | + | FORMULA C17H14O9 |
| − | EXACTMASS 362.06378204600003 | + | EXACTMASS 362.06378204600003 |
| − | AVERAGEMASS 362.28765999999996 | + | AVERAGEMASS 362.28765999999996 |
| − | SMILES COc(c(O)1)c(O)c(C(=O)2)c(OC(c(c3)cc(O)c(O)c3)=C(O)2)c(OC)1 | + | SMILES COc(c(O)1)c(O)c(C(=O)2)c(OC(c(c3)cc(O)c(O)c3)=C(O)2)c(OC)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/
26 28 0 0 0 0 0 0 0 0999 V2000
-1.3441 -0.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7125 -0.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4411 -1.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8011 -1.5455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4327 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7042 -0.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5297 -2.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1102 -2.1837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4787 -1.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2072 -1.0754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8169 -2.5380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1184 -1.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3951 -2.3068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0473 -2.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4228 -1.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1461 -1.2343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4939 -1.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3816 -2.7657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6155 0.2007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8094 -2.0156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5215 -0.6982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0748 -1.8847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1477 -0.1274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7259 0.3591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1531 -0.3375 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 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
6 23 1 0 0 0 0
23 24 1 0 0 0 0
2 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 -2.5983 -0.7269
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 -1.0494 0.7182
S SKP 8
ID FL5FGCNS0003
KNApSAcK_ID C00004788
NAME 3,5,7,3',4'-Pentahydroxy-6,8-dimethoxyflavone
CAS_RN 96887-23-9
FORMULA C17H14O9
EXACTMASS 362.06378204600003
AVERAGEMASS 362.28765999999996
SMILES COc(c(O)1)c(O)c(C(=O)2)c(OC(c(c3)cc(O)c(O)c3)=C(O)2)c(OC)1
M END
