Mol:FL5FACGS0048
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 38 0 0 0 0 0 0 0 0999 V2000 | + | 35 38 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1792 0.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1792 0.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1792 0.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1792 0.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6229 -0.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6229 -0.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0666 0.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0666 0.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0666 0.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0666 0.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6229 1.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6229 1.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5103 -0.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5103 -0.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0460 0.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0460 0.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0460 0.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0460 0.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5103 1.1926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5103 1.1926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5103 -0.5929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5103 -0.5929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7465 1.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7465 1.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3135 0.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3135 0.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8804 1.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8804 1.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8804 1.9710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8804 1.9710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3135 2.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3135 2.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7465 1.9710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7465 1.9710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6229 -0.7342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6229 -0.7342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6741 2.3503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6741 2.3503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6741 1.1926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6741 1.1926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6093 -0.1804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6093 -0.1804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3939 -1.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3939 -1.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0221 -1.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0221 -1.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8228 -0.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8228 -0.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0221 -0.1964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0221 -0.1964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3939 0.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3939 0.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5932 -0.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5932 -0.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3635 -0.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3635 -0.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5553 -1.8352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5553 -1.8352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0221 -2.2450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0221 -2.2450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4430 -1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4430 -1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3135 2.9528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3135 2.9528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2165 -2.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2165 -2.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7122 -2.4220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7122 -2.4220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5229 -2.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5229 -2.9528 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 |
| − | 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 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 21 8 1 0 0 0 0 | + | 21 8 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 27 22 1 1 0 0 0 | + | 27 22 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 16 32 1 0 0 0 0 | + | 16 32 1 0 0 0 0 |
| − | 29 33 1 0 0 0 0 | + | 29 33 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FACGS0048 | + | ID FL5FACGS0048 |
| − | KNApSAcK_ID C00005964 | + | KNApSAcK_ID C00005964 |
| − | NAME Quercetin 3-(3''-acetylrhamnoside) | + | NAME Quercetin 3-(3''-acetylrhamnoside) |
| − | CAS_RN 69120-15-6 | + | CAS_RN 69120-15-6 |
| − | FORMULA C23H22O12 | + | FORMULA C23H22O12 |
| − | EXACTMASS 490.111126168 | + | EXACTMASS 490.111126168 |
| − | AVERAGEMASS 490.41358 | + | AVERAGEMASS 490.41358 |
| − | SMILES c(c(C(O2)=C(OC(O4)C(O)C(C(C(C)4)O)OC(C)=O)C(c(c3O)c2cc(c3)O)=O)1)cc(c(c1)O)O | + | SMILES c(c(C(O2)=C(OC(O4)C(O)C(C(C(C)4)O)OC(C)=O)C(c(c3O)c2cc(c3)O)=O)1)cc(c(c1)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
-2.1792 0.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1792 0.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6229 -0.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0666 0.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0666 0.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6229 1.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5103 -0.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0460 0.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0460 0.8715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5103 1.1926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5103 -0.5929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7465 1.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3135 0.9889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8804 1.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8804 1.9710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3135 2.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7465 1.9710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6229 -0.7342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6741 2.3503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6741 1.1926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6093 -0.1804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3939 -1.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0221 -1.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8228 -0.8982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0221 -0.1964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3939 0.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5932 -0.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3635 -0.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5553 -1.8352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0221 -2.2450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4430 -1.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3135 2.9528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2165 -2.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7122 -2.4220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5229 -2.9528 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
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 15 1 0 0 0 0
20 1 1 0 0 0 0
21 8 1 0 0 0 0
4 3 1 0 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
26 21 1 0 0 0 0
16 32 1 0 0 0 0
29 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
S SKP 8
ID FL5FACGS0048
KNApSAcK_ID C00005964
NAME Quercetin 3-(3''-acetylrhamnoside)
CAS_RN 69120-15-6
FORMULA C23H22O12
EXACTMASS 490.111126168
AVERAGEMASS 490.41358
SMILES c(c(C(O2)=C(OC(O4)C(O)C(C(C(C)4)O)OC(C)=O)C(c(c3O)c2cc(c3)O)=O)1)cc(c(c1)O)O
M END
