Mol:FL5FECNS0017
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 |
| − | -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 |
| − | -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 |
| − | -1.2818 0.3305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2818 0.3305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1946 1.3267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1946 1.3267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5329 -3.0900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5329 -3.0900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9556 -3.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9556 -3.9963 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 1 23 1 0 0 0 0 | + | 1 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 8 25 1 0 0 0 0 | + | 8 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 25 26 | + | M SAL 3 2 25 26 |
| − | M SBL 3 1 27 | + | M SBL 3 1 27 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 27 0.5403 -1.0246 | + | M SVB 3 27 0.5403 -1.0246 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 23 24 | + | M SAL 2 2 23 24 |
| − | M SBL 2 1 25 | + | M SBL 2 1 25 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 25 -2.241 0.4428 | + | M SVB 2 25 -2.241 0.4428 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 23 -2.5983 -0.7269 | + | M SVB 1 23 -2.5983 -0.7269 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FECNS0017 | + | ID FL5FECNS0017 |
| − | KNApSAcK_ID C00004692 | + | KNApSAcK_ID C00004692 |
| − | NAME Chrysosplenol D;5,3',4'-Trihydroxy-3,6,7-trimethoxyflavone;Quercetagetin 3,6,7-Trimethyl ether;2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4H-1-benzopyran-4-one | + | NAME Chrysosplenol D;5,3',4'-Trihydroxy-3,6,7-trimethoxyflavone;Quercetagetin 3,6,7-Trimethyl ether;2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 14965-20-9 | + | CAS_RN 14965-20-9 |
| − | FORMULA C18H16O8 | + | FORMULA C18H16O8 |
| − | EXACTMASS 360.08451748799996 | + | EXACTMASS 360.08451748799996 |
| − | AVERAGEMASS 360.31484 | + | AVERAGEMASS 360.31484 |
| − | SMILES c(c3OC)c(O1)c(c(c3OC)O)C(C(=C1c(c2)cc(O)c(O)c2)OC)=O | + | SMILES c(c3OC)c(O1)c(c(c3OC)O)C(C(=C1c(c2)cc(O)c(O)c2)OC)=O |
M END | M END | ||
| − | |||
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
-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
-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
-1.2818 0.3305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1946 1.3267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5329 -3.0900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9556 -3.9963 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
3 18 1 0 0 0 0
16 19 1 0 0 0 0
15 20 1 0 0 0 0
2 21 1 0 0 0 0
21 22 1 0 0 0 0
1 23 1 0 0 0 0
23 24 1 0 0 0 0
8 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 25 26
M SBL 3 1 27
M SMT 3 OCH3
M SVB 3 27 0.5403 -1.0246
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 25
M SMT 2 OCH3
M SVB 2 25 -2.241 0.4428
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 -2.5983 -0.7269
S SKP 8
ID FL5FECNS0017
KNApSAcK_ID C00004692
NAME Chrysosplenol D;5,3',4'-Trihydroxy-3,6,7-trimethoxyflavone;Quercetagetin 3,6,7-Trimethyl ether;2-(3,4-dihydroxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4H-1-benzopyran-4-one
CAS_RN 14965-20-9
FORMULA C18H16O8
EXACTMASS 360.08451748799996
AVERAGEMASS 360.31484
SMILES c(c3OC)c(O1)c(c(c3OC)O)C(C(=C1c(c2)cc(O)c(O)c2)OC)=O
M END
