Mol:FL3FF9GS0010
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 |
| − | -0.5951 0.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5951 0.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5951 -0.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5951 -0.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1193 -0.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1193 -0.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8338 -0.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8338 -0.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8338 0.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8338 0.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1193 0.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1193 0.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5483 -0.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5483 -0.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2628 -0.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2628 -0.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2628 0.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2628 0.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5483 0.8049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5483 0.8049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9772 0.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9772 0.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6917 0.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6917 0.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4062 0.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4062 0.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4062 1.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4062 1.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6917 2.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6917 2.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9772 1.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9772 1.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5483 -1.6701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5483 -1.6701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1193 -1.6701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1193 -1.6701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3096 0.8049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3096 0.8049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1193 1.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1193 1.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5255 -2.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5255 -2.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6101 1.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6101 1.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9230 0.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9230 0.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5103 0.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5103 0.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7120 0.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7120 0.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9185 0.0508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9185 0.0508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3311 0.7655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3311 0.7655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1295 0.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1295 0.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2865 1.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2865 1.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7663 1.4193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7663 1.4193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4062 0.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4062 0.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9590 0.3275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9590 0.3275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8835 -0.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8835 -0.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 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 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 24 25 1 1 0 0 0 | + | 24 25 1 1 0 0 0 |
| − | 26 25 1 1 0 0 0 | + | 26 25 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 23 1 0 0 0 0 | + | 28 23 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 25 33 1 0 0 0 0 | + | 25 33 1 0 0 0 0 |
| − | 26 19 1 0 0 0 0 | + | 26 19 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FF9GS0010 | + | ID FL3FF9GS0010 |
| − | KNApSAcK_ID C00013603 | + | KNApSAcK_ID C00013603 |
| − | NAME Immaculoside;7-Hydroxy-5,8-dimethoxyflavone 7-glucoside;7-(beta-D-Glucopyranosyloxy)-5,8-dimethoxy-2-phenyl-4H-1-benzopyran-4-one | + | NAME Immaculoside;7-Hydroxy-5,8-dimethoxyflavone 7-glucoside;7-(beta-D-Glucopyranosyloxy)-5,8-dimethoxy-2-phenyl-4H-1-benzopyran-4-one |
| − | CAS_RN 442201-58-3 | + | CAS_RN 442201-58-3 |
| − | FORMULA C23H24O10 | + | FORMULA C23H24O10 |
| − | EXACTMASS 460.136946988 | + | EXACTMASS 460.136946988 |
| − | AVERAGEMASS 460.43066 | + | AVERAGEMASS 460.43066 |
| − | SMILES C(C(=O)1)=C(c(c4)cccc4)Oc(c(OC)2)c(c(cc2OC(C(O)3)OC(CO)C(C3O)O)OC)1 | + | SMILES C(C(=O)1)=C(c(c4)cccc4)Oc(c(OC)2)c(c(cc2OC(C(O)3)OC(CO)C(C3O)O)OC)1 |
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
-0.5951 0.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5951 -0.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1193 -0.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8338 -0.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8338 0.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1193 0.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5483 -0.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2628 -0.4326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2628 0.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5483 0.8049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9772 0.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6917 0.3924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4062 0.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4062 1.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6917 2.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9772 1.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5483 -1.6701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1193 -1.6701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3096 0.8049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1193 1.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5255 -2.0424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6101 1.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9230 0.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5103 0.0685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7120 0.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9185 0.0508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3311 0.7655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1295 0.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2865 1.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7663 1.4193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4062 0.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9590 0.3275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8835 -0.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 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
18 21 1 0 0 0 0
20 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
26 19 1 0 0 0 0
S SKP 8
ID FL3FF9GS0010
KNApSAcK_ID C00013603
NAME Immaculoside;7-Hydroxy-5,8-dimethoxyflavone 7-glucoside;7-(beta-D-Glucopyranosyloxy)-5,8-dimethoxy-2-phenyl-4H-1-benzopyran-4-one
CAS_RN 442201-58-3
FORMULA C23H24O10
EXACTMASS 460.136946988
AVERAGEMASS 460.43066
SMILES C(C(=O)1)=C(c(c4)cccc4)Oc(c(OC)2)c(c(cc2OC(C(O)3)OC(CO)C(C3O)O)OC)1
M END
