Mol:FL3FF9NS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 23 0 0 0 0 0 0 0 0999 V2000 | + | 21 23 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5312 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5312 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5312 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5312 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0308 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0308 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5303 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5303 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5303 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5303 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0308 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0308 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0299 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0299 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4705 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4705 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4705 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4705 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0299 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0299 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9707 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9707 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5010 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5010 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0314 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0314 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0314 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0314 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5010 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5010 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9707 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9707 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0299 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0299 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0308 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0308 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0314 0.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0314 0.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7807 0.9643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7807 0.9643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3710 1.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3710 1.8765 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 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 |
| − | 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 -0.7807 0.9643 | + | M SVB 1 22 -0.7807 0.9643 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FF9NS0002 | + | ID FL3FF9NS0002 |
| − | KNApSAcK_ID C00001111 | + | KNApSAcK_ID C00001111 |
| − | NAME Wogonin;5,7-Dihydroxy-8-methoxyflavone | + | NAME Wogonin;5,7-Dihydroxy-8-methoxyflavone |
| − | CAS_RN 632-85-9 | + | CAS_RN 632-85-9 |
| − | FORMULA C16H12O5 | + | FORMULA C16H12O5 |
| − | EXACTMASS 284.068473494 | + | EXACTMASS 284.068473494 |
| − | AVERAGEMASS 284.26348 | + | AVERAGEMASS 284.26348 |
| − | SMILES COc(c(O)3)c(O1)c(c(O)c3)C(=O)C=C(c(c2)cccc2)1 | + | SMILES COc(c(O)3)c(O1)c(c(O)c3)C(=O)C=C(c(c2)cccc2)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-1.5312 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5312 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0308 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5303 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5303 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0308 0.4074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0299 -0.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4705 -0.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4705 0.1185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0299 0.4074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9707 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5010 0.1010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0314 0.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0314 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5010 1.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9707 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0299 -1.3255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0308 -1.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0314 0.4072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7807 0.9643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3710 1.8765 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
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
3 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
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 -0.7807 0.9643
S SKP 8
ID FL3FF9NS0002
KNApSAcK_ID C00001111
NAME Wogonin;5,7-Dihydroxy-8-methoxyflavone
CAS_RN 632-85-9
FORMULA C16H12O5
EXACTMASS 284.068473494
AVERAGEMASS 284.26348
SMILES COc(c(O)3)c(O1)c(c(O)c3)C(=O)C=C(c(c2)cccc2)1
M END
