Mol:FL1C3CGS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 37 0 0 0 0 0 0 0 0999 V2000 | + | 35 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.5736 -0.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5736 -0.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5736 -0.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5736 -0.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0196 -1.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0196 -1.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5344 -0.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5344 -0.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5344 -0.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5344 -0.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0196 0.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0196 0.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0881 -1.2329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0881 -1.2329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6407 -0.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6407 -0.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1920 -1.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1920 -1.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7421 -0.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7421 -0.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2805 -1.2254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2805 -1.2254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8189 -0.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8189 -0.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8189 -0.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8189 -0.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2805 0.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2805 0.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7421 -0.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7421 -0.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0881 -1.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0881 -1.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0196 -1.8725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0196 -1.8725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1273 0.0462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1273 0.0462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3571 0.0178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3571 0.0178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0585 -1.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0585 -1.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3571 -1.2254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3571 -1.2254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1736 -0.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1736 -0.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8274 -0.6280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8274 -0.6280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3288 -0.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3288 -0.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8091 -0.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8091 -0.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1973 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1973 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7066 -0.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7066 -0.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5608 -0.3944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5608 -0.3944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3671 -0.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3671 -0.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -3.7338 1.8725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7338 1.8725 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 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 20 2 1 0 0 0 0 | + | 20 2 1 0 0 0 0 |
| − | 12 21 1 0 0 0 0 | + | 12 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 33 35 2 0 0 0 0 | + | 33 35 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C3CGS0003 | + | ID FL1C3CGS0003 |
| − | KNApSAcK_ID C00007894 | + | KNApSAcK_ID C00007894 |
| − | NAME Okanin 4'-(6''-acetylglucoside) | + | NAME Okanin 4'-(6''-acetylglucoside) |
| − | CAS_RN 120163-15-7 | + | CAS_RN 120163-15-7 |
| − | FORMULA C23H24O12 | + | FORMULA C23H24O12 |
| − | EXACTMASS 492.126776232 | + | EXACTMASS 492.126776232 |
| − | AVERAGEMASS 492.42946 | + | AVERAGEMASS 492.42946 |
| − | SMILES C(C(C1O)OC(Oc(c2)c(c(c(C(=O)C=Cc(c3)cc(c(O)c3)O)c2)O)O)C(O)C1O)OC(C)=O | + | SMILES C(C(C1O)OC(Oc(c2)c(c(c(C(=O)C=Cc(c3)cc(c(O)c3)O)c2)O)O)C(O)C1O)OC(C)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
35 37 0 0 0 0 0 0 0 0999 V2000
-0.5736 -0.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5736 -0.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0196 -1.2331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5344 -0.9132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5344 -0.2735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0196 0.0463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0881 -1.2329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6407 -0.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1920 -1.2322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7421 -0.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2805 -1.2254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8189 -0.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8189 -0.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2805 0.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7421 -0.2929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0881 -1.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0196 -1.8725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1273 0.0462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3571 0.0178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0585 -1.2837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3571 -1.2254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1736 -0.1709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8274 -0.6280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3288 -0.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8091 -0.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1973 -0.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7066 -0.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5608 -0.3944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3671 -0.6542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0431 -0.9136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1521 0.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1521 0.8637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7338 1.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3571 0.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7338 1.8725 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 11 2 0 0 0 0
11 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 10 1 0 0 0 0
7 16 2 0 0 0 0
3 17 1 0 0 0 0
1 18 1 0 0 0 0
13 19 1 0 0 0 0
20 2 1 0 0 0 0
12 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
27 31 1 0 0 0 0
25 18 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
33 35 2 0 0 0 0
S SKP 8
ID FL1C3CGS0003
KNApSAcK_ID C00007894
NAME Okanin 4'-(6''-acetylglucoside)
CAS_RN 120163-15-7
FORMULA C23H24O12
EXACTMASS 492.126776232
AVERAGEMASS 492.42946
SMILES C(C(C1O)OC(Oc(c2)c(c(c(C(=O)C=Cc(c3)cc(c(O)c3)O)c2)O)O)C(O)C1O)OC(C)=O
M END
