Mol:FL5FACGA0026
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 36 39 0 0 0 0 0 0 0 0999 V2000 | + | 36 39 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.7968 0.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7968 0.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7968 -0.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7968 -0.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2405 -0.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2405 -0.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6842 -0.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6842 -0.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6842 0.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6842 0.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2405 0.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2405 0.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1279 -0.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1279 -0.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5716 -0.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5716 -0.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5716 0.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5716 0.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1279 0.4980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1279 0.4980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1279 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1279 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0155 0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0155 0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5514 0.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5514 0.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1184 0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1184 0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1184 1.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1184 1.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5514 1.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5514 1.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0155 1.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0155 1.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2405 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2405 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9121 1.5319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9121 1.5319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2918 0.4980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2918 0.4980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0422 -0.8199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0422 -0.8199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5514 2.1344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5514 2.1344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8143 -0.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8143 -0.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2567 -0.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2567 -0.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8938 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8938 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6729 -0.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6729 -0.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0618 -0.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0618 -0.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5045 -0.5170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5045 -0.5170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5670 -0.9576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5670 -0.9576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2588 -1.2890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2588 -1.2890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6729 -1.3315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6729 -1.3315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2588 -1.8860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2588 -1.8860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8285 -2.1344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8285 -2.1344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7647 -2.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7647 -2.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5773 -0.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5773 -0.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2918 -0.6077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2918 -0.6077 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 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 |
| − | 16 22 1 0 0 0 0 | + | 16 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 |
| − | 24 29 1 0 0 0 0 | + | 24 29 1 0 0 0 0 |
| − | 25 30 1 0 0 0 0 | + | 25 30 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 26 31 1 0 0 0 0 | + | 26 31 1 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | 27 35 1 0 0 0 0 | + | 27 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 35 36 | + | M SAL 1 2 35 36 |
| − | M SBL 1 1 38 | + | M SBL 1 1 38 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 38 -4.7109 2.8857 | + | M SBV 1 38 -4.7109 2.8857 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FACGA0026 | + | ID FL5FACGA0026 |
| − | KNApSAcK_ID C00005945 | + | KNApSAcK_ID C00005945 |
| − | NAME Quercetin 3-(3''-acetylgalactoside) | + | NAME Quercetin 3-(3''-acetylgalactoside) |
| − | CAS_RN 72659-76-8,94799-72-1 | + | CAS_RN 72659-76-8,94799-72-1 |
| − | FORMULA C23H22O13 | + | FORMULA C23H22O13 |
| − | EXACTMASS 506.10604078999995 | + | EXACTMASS 506.10604078999995 |
| − | AVERAGEMASS 506.41298000000006 | + | AVERAGEMASS 506.41298000000006 |
| − | SMILES c(c(C(O3)=C(C(c(c4O)c3cc(c4)O)=O)OC(O2)C(C(OC(C)=O)C(O)C2CO)O)1)cc(c(c1)O)O | + | SMILES c(c(C(O3)=C(C(c(c4O)c3cc(c4)O)=O)OC(O2)C(C(OC(C)=O)C(O)C2CO)O)1)cc(c(c1)O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 0 0 0 0 0 0999 V2000
-2.7968 0.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7968 -0.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2405 -0.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6842 -0.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6842 0.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2405 0.4980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1279 -0.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5716 -0.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5716 0.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1279 0.4980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1279 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0155 0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5514 0.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1184 0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1184 1.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5514 1.4799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0155 1.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2405 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9121 1.5319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2918 0.4980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0422 -0.8199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5514 2.1344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8143 -0.3400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2567 -0.9240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8938 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6729 -0.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0618 -0.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5045 -0.5170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5670 -0.9576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2588 -1.2890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6729 -1.3315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2588 -1.8860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8285 -2.1344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7647 -2.0215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5773 -0.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2918 -0.6077 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 15 1 0 0 0 0
20 1 1 0 0 0 0
21 8 1 0 0 0 0
16 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
24 29 1 0 0 0 0
25 30 1 0 0 0 0
21 23 1 0 0 0 0
26 31 1 0 0 0 0
30 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
27 35 1 0 0 0 0
35 36 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 35 36
M SBL 1 1 38
M SMT 1 CH2OH
M SBV 1 38 -4.7109 2.8857
S SKP 8
ID FL5FACGA0026
KNApSAcK_ID C00005945
NAME Quercetin 3-(3''-acetylgalactoside)
CAS_RN 72659-76-8,94799-72-1
FORMULA C23H22O13
EXACTMASS 506.10604078999995
AVERAGEMASS 506.41298000000006
SMILES c(c(C(O3)=C(C(c(c4O)c3cc(c4)O)=O)OC(O2)C(C(OC(C)=O)C(O)C2CO)O)1)cc(c(c1)O)O
M END
