Mol:FLIDQUNS0002
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 27 0 0 0 0 0 0 0 0999 V2000 | + | 24 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1039 0.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1039 0.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1039 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1039 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5476 -0.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5476 -0.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9913 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9913 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9913 0.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9913 0.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5476 1.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5476 1.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4350 -0.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4350 -0.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1213 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1213 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1213 0.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1213 0.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4350 1.1794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4350 1.1794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6774 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6774 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6774 -0.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6774 -0.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2722 -1.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2722 -1.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8670 -0.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8670 -0.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8670 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8670 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2722 0.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2722 0.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4292 -0.7918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4292 -0.7918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4612 -1.1351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4612 -1.1351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2722 -1.8215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2722 -1.8215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5476 1.8215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5476 1.8215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4612 1.4770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4612 1.4770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9612 2.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9612 2.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5693 0.8222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5693 0.8222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2837 0.4097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2837 0.4097 0.0000 C 0 0 0 0 0 0 0 0 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 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 |
| − | 8 11 1 0 0 0 0 | + | 8 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 1 0 0 0 0 | + | 13 14 1 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 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 14 18 2 0 0 0 0 | + | 14 18 2 0 0 0 0 |
| − | 13 19 2 0 0 0 0 | + | 13 19 2 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 16 23 1 0 0 0 0 | + | 16 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 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 23 24 | + | M SAL 2 2 23 24 |
| − | M SBL 2 1 26 | + | M SBL 2 1 26 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 26 1.5693 0.8222 | + | M SVB 2 26 1.5693 0.8222 |
| − | 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 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 24 -2.4612 1.477 | + | M SVB 1 24 -2.4612 1.477 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIDQUNS0002 | + | ID FLIDQUNS0002 |
| − | KNApSAcK_ID C00009706 | + | KNApSAcK_ID C00009706 |
| − | NAME Bryaquinone | + | NAME Bryaquinone |
| − | CAS_RN 57684-35-2 | + | CAS_RN 57684-35-2 |
| − | FORMULA C17H12O7 | + | FORMULA C17H12O7 |
| − | EXACTMASS 328.058302738 | + | EXACTMASS 328.058302738 |
| − | AVERAGEMASS 328.27297999999996 | + | AVERAGEMASS 328.27297999999996 |
| − | SMILES COc(c4)c(O)c(O3)c(c4)c(o1)c(C3)c(c(OC)2)c(c(=O)c(=O)c2)1 | + | SMILES COc(c4)c(O)c(O3)c(c4)c(o1)c(C3)c(c(OC)2)c(c(=O)c(=O)c2)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 27 0 0 0 0 0 0 0 0999 V2000
-2.1039 0.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1039 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5476 -0.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9913 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9913 0.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5476 1.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4350 -0.1053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1213 0.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1213 0.8582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4350 1.1794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6774 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6774 -0.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2722 -1.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8670 -0.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8670 -0.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2722 0.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4292 -0.7918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4612 -1.1351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2722 -1.8215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5476 1.8215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4612 1.4770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9612 2.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 0.8222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2837 0.4097 0.0000 C 0 0 0 0 0 0 0 0 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 1 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 1 0 0 0 0
1 2 1 0 0 0 0
12 17 1 0 0 0 0
14 18 2 0 0 0 0
13 19 2 0 0 0 0
6 20 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
16 23 1 0 0 0 0
23 24 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 26
M SMT 2 OCH3
M SVB 2 26 1.5693 0.8222
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 -2.4612 1.477
S SKP 8
ID FLIDQUNS0002
KNApSAcK_ID C00009706
NAME Bryaquinone
CAS_RN 57684-35-2
FORMULA C17H12O7
EXACTMASS 328.058302738
AVERAGEMASS 328.27297999999996
SMILES COc(c4)c(O)c(O3)c(c4)c(o1)c(C3)c(c(OC)2)c(c(=O)c(=O)c2)1
M END
