Mol:FL5FDJNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3202 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3202 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3202 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3202 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7639 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7639 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2076 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2076 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2076 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2076 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7639 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7639 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6513 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6513 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0950 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0950 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0950 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0950 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6513 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6513 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6513 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6513 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4611 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4611 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0281 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0281 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5950 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5950 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5950 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5950 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0281 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0281 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4611 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4611 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8763 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8763 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7639 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7639 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1618 -0.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1618 -0.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0281 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0281 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1618 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1618 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8763 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8763 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7710 -1.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7710 -1.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6371 -1.8182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6371 -1.8182 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 8 24 1 0 0 0 0 | + | 8 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 24 25 | + | M SAL 2 2 24 25 |
| − | M SBL 2 1 26 | + | M SBL 2 1 26 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 26 0.1038 -1.0246 | + | M SVB 2 26 0.1038 -1.0246 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 22 23 | + | M SAL 1 2 22 23 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 24 2.1618 1.127 | + | M SVB 1 24 2.1618 1.127 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FDJNS0001 | + | ID FL5FDJNS0001 |
| − | KNApSAcK_ID C00004764 | + | KNApSAcK_ID C00004764 |
| − | NAME Myricetin 3,4'-dimethyl ether | + | NAME Myricetin 3,4'-dimethyl ether |
| − | CAS_RN 71325-90-1 | + | CAS_RN 71325-90-1 |
| − | FORMULA C17H14O8 | + | FORMULA C17H14O8 |
| − | EXACTMASS 346.068867424 | + | EXACTMASS 346.068867424 |
| − | AVERAGEMASS 346.28826 | + | AVERAGEMASS 346.28826 |
| − | SMILES COc(c(O)3)c(O)cc(c3)C(O1)=C(OC)C(=O)c(c(O)2)c(cc(O)c2)1 | + | SMILES COc(c(O)3)c(O)cc(c3)C(O1)=C(OC)C(=O)c(c(O)2)c(cc(O)c2)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-2.3202 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3202 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8763 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1618 -0.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1618 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8763 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7710 -1.3183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6371 -1.8182 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
14 20 1 0 0 0 0
16 21 1 0 0 0 0
15 22 1 0 0 0 0
22 23 1 0 0 0 0
8 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 24 25
M SBL 2 1 26
M SMT 2 OCH3
M SVB 2 26 0.1038 -1.0246
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 2.1618 1.127
S SKP 8
ID FL5FDJNS0001
KNApSAcK_ID C00004764
NAME Myricetin 3,4'-dimethyl ether
CAS_RN 71325-90-1
FORMULA C17H14O8
EXACTMASS 346.068867424
AVERAGEMASS 346.28826
SMILES COc(c(O)3)c(O)cc(c3)C(O1)=C(OC)C(=O)c(c(O)2)c(cc(O)c2)1
M END
