Mol:FL3FF9GS0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.7139 0.9327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7139 0.9327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7139 0.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7139 0.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1576 -0.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1576 -0.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3988 0.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3988 0.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3988 0.9327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3988 0.9327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1576 1.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1576 1.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9551 -0.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9551 -0.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5114 0.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5114 0.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5114 0.9327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5114 0.9327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9551 1.2539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9551 1.2539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9551 -0.5316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9551 -0.5316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0675 1.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0675 1.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6344 0.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6344 0.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2014 1.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2014 1.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2014 1.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2014 1.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6344 2.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6344 2.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0675 1.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0675 1.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1576 -0.6729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1576 -0.6729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4876 -1.1298 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -2.4876 -1.1298 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -1.9720 -1.8104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.9720 -1.8104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.2295 -1.5216 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.2295 -1.5216 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -0.5130 -1.5139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -0.5130 -1.5139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.0336 -0.9932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0336 -0.9932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6832 -1.3360 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.6832 -1.3360 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.2014 -1.5419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2014 -1.5419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7758 -1.8495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7758 -1.8495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8040 -2.2358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8040 -2.2358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1499 1.8439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1499 1.8439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6121 2.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6121 2.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0711 1.5515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0711 1.5515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5710 2.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5710 2.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6053 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6053 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0177 -0.1897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0177 -0.1897 0.0000 O 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 |
| − | 19 20 1 1 0 0 0 | + | 19 20 1 1 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 18 1 0 0 0 0 | + | 22 18 1 0 0 0 0 |
| − | 6 28 1 0 0 0 0 | + | 6 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 1 30 1 0 0 0 0 | + | 1 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 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 32 33 | + | M SAL 3 2 32 33 |
| − | M SBL 3 1 35 | + | M SBL 3 1 35 |
| − | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
| − | M SVB 3 35 -1.8671 -0.9376 | + | M SVB 3 35 -1.8671 -0.9376 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 30 31 | + | M SAL 2 2 30 31 |
| − | M SBL 2 1 33 | + | M SBL 2 1 33 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 33 -1.0711 1.5515 | + | M SVB 2 33 -1.0711 1.5515 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 28 29 | + | M SAL 1 2 28 29 |
| − | M SBL 1 1 31 | + | M SBL 1 1 31 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 31 0.1499 1.8439 | + | M SVB 1 31 0.1499 1.8439 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FF9GS0006 | + | ID FL3FF9GS0006 |
| − | KNApSAcK_ID C00004132 | + | KNApSAcK_ID C00004132 |
| − | NAME 5-Hydroxy-7,8-dimethoxyflavone 5-glucoside | + | NAME 5-Hydroxy-7,8-dimethoxyflavone 5-glucoside |
| − | CAS_RN 113963-39-6 | + | CAS_RN 113963-39-6 |
| − | FORMULA C23H24O10 | + | FORMULA C23H24O10 |
| − | EXACTMASS 460.136946988 | + | EXACTMASS 460.136946988 |
| − | AVERAGEMASS 460.43066 | + | AVERAGEMASS 460.43066 |
| − | SMILES c(c(OC)3)c(O[C@@H]([C@@H](O)4)OC(CO)[C@@H]([C@@H]4O)O)c(C2=O)c(c3OC)OC(=C2)c(c1)cccc1 | + | SMILES c(c(OC)3)c(O[C@@H]([C@@H](O)4)OC(CO)[C@@H]([C@@H]4O)O)c(C2=O)c(c3OC)OC(=C2)c(c1)cccc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-0.7139 0.9327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7139 0.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1576 -0.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3988 0.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3988 0.9327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1576 1.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9551 -0.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5114 0.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5114 0.9327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9551 1.2539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9551 -0.5316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0675 1.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6344 0.9265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2014 1.2538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2014 1.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6344 2.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0675 1.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1576 -0.6729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4876 -1.1298 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.9720 -1.8104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.2295 -1.5216 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.5130 -1.5139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.0336 -0.9932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6832 -1.3360 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.2014 -1.5419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7758 -1.8495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8040 -2.2358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1499 1.8439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6121 2.7307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0711 1.5515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5710 2.4176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6053 -0.9042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0177 -0.1897 0.0000 O 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
19 20 1 1 0 0 0
20 21 1 1 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 18 1 0 0 0 0
6 28 1 0 0 0 0
28 29 1 0 0 0 0
1 30 1 0 0 0 0
30 31 1 0 0 0 0
24 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 32 33
M SBL 3 1 35
M SMT 3 CH2OH
M SVB 3 35 -1.8671 -0.9376
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 30 31
M SBL 2 1 33
M SMT 2 OCH3
M SVB 2 33 -1.0711 1.5515
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 28 29
M SBL 1 1 31
M SMT 1 OCH3
M SVB 1 31 0.1499 1.8439
S SKP 8
ID FL3FF9GS0006
KNApSAcK_ID C00004132
NAME 5-Hydroxy-7,8-dimethoxyflavone 5-glucoside
CAS_RN 113963-39-6
FORMULA C23H24O10
EXACTMASS 460.136946988
AVERAGEMASS 460.43066
SMILES c(c(OC)3)c(O[C@@H]([C@@H](O)4)OC(CO)[C@@H]([C@@H]4O)O)c(C2=O)c(c3OC)OC(=C2)c(c1)cccc1
M END
