Mol:FL5FCGGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2600 0.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2600 0.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2600 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2600 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7037 -0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7037 -0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1474 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1474 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1474 0.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1474 0.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7037 1.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7037 1.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5911 -0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5911 -0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0348 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0348 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0348 0.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0348 0.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5911 1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5911 1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5911 -0.6793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5911 -0.6793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5213 1.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5213 1.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0882 0.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0882 0.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6552 1.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6552 1.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6552 1.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6552 1.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0882 2.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0882 2.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5213 1.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5213 1.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7037 -0.8206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7037 -0.8206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5213 -0.1783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5213 -0.1783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4489 2.1402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4489 2.1402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2220 0.7789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2220 0.7789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7668 -1.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7668 -1.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3950 -2.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3950 -2.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1957 -1.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1957 -1.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3950 -0.7778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3950 -0.7778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7668 -0.4150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7668 -0.4150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9661 -1.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9661 -1.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7364 -1.1126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7364 -1.1126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9282 -2.4165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9282 -2.4165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2435 -2.7427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2435 -2.7427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8159 -1.8376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8159 -1.8376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0882 2.7427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0882 2.7427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8159 1.3670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8159 1.3670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0190 1.1534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0190 1.1534 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 |
| − | 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 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 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 19 1 0 0 0 0 | + | 26 19 1 0 0 0 0 |
| − | 16 32 1 0 0 0 0 | + | 16 32 1 0 0 0 0 |
| − | 1 33 1 0 0 0 0 | + | 1 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 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 33 34 | + | M SAL 1 2 33 34 |
| − | M SBL 1 1 36 | + | M SBL 1 1 36 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 36 -6.8955 5.6157 | + | M SBV 1 36 -6.8955 5.6157 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FCGGS0001 | + | ID FL5FCGGS0001 |
| − | KNApSAcK_ID C00005759 | + | KNApSAcK_ID C00005759 |
| − | NAME Europetin 3-rhamnoside | + | NAME Europetin 3-rhamnoside |
| − | CAS_RN 130364-27-1 | + | CAS_RN 130364-27-1 |
| − | FORMULA C22H22O12 | + | FORMULA C22H22O12 |
| − | EXACTMASS 478.111126168 | + | EXACTMASS 478.111126168 |
| − | AVERAGEMASS 478.40288000000004 | + | AVERAGEMASS 478.40288000000004 |
| − | SMILES OC(C1OC(C(=O)4)=C(Oc(c43)cc(cc3O)OC)c(c2)cc(O)c(O)c(O)2)C(C(O)C(C)O1)O | + | SMILES OC(C1OC(C(=O)4)=C(Oc(c43)cc(cc3O)OC)c(c2)cc(O)c(O)c(O)2)C(C(O)C(C)O1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-2.2600 0.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2600 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7037 -0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1474 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1474 0.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7037 1.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5911 -0.1784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0348 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0348 0.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5911 1.1063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5911 -0.6793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5213 1.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0882 0.7788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6552 1.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6552 1.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0882 2.0882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5213 1.7609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7037 -0.8206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5213 -0.1783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4489 2.1402 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2220 0.7789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7668 -1.8143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3950 -2.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1957 -1.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3950 -0.7778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7668 -0.4150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9661 -1.1126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7364 -1.1126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9282 -2.4165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2435 -2.7427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8159 -1.8376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0882 2.7427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8159 1.3670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0190 1.1534 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
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
8 19 1 0 0 0 0
20 15 1 0 0 0 0
14 21 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 19 1 0 0 0 0
16 32 1 0 0 0 0
1 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 33 34
M SBL 1 1 36
M SMT 1 ^OCH3
M SBV 1 36 -6.8955 5.6157
S SKP 8
ID FL5FCGGS0001
KNApSAcK_ID C00005759
NAME Europetin 3-rhamnoside
CAS_RN 130364-27-1
FORMULA C22H22O12
EXACTMASS 478.111126168
AVERAGEMASS 478.40288000000004
SMILES OC(C1OC(C(=O)4)=C(Oc(c43)cc(cc3O)OC)c(c2)cc(O)c(O)c(O)2)C(C(O)C(C)O1)O
M END
