Mol:FL5FGGNS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 31 0 0 0 0 0 0 0 0999 V2000 | + | 29 31 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 |
| − | -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 |
| − | -2.8763 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8763 -1.1394 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 |
| − | -2.6775 0.4428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6775 0.4428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1775 1.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1775 1.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4859 0.7182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4859 0.7182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0494 1.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0494 1.6179 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 |
| − | 2 19 1 0 0 0 0 | + | 2 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 |
| − | 1 26 1 0 0 0 0 | + | 1 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 6 28 1 0 0 0 0 | + | 6 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 28 29 | + | M SAL 4 2 28 29 |
| − | M SBL 4 1 30 | + | M SBL 4 1 30 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 30 -1.4859 0.7182 | + | M SVB 4 30 -1.4859 0.7182 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 26 27 | + | M SAL 3 2 26 27 |
| − | M SBL 3 1 28 | + | M SBL 3 1 28 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 28 -2.6775 0.4428 | + | M SVB 3 28 -2.6775 0.4428 |
| − | 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 FL5FGGNS0004 | + | ID FL5FGGNS0004 |
| − | KNApSAcK_ID C00004861 | + | KNApSAcK_ID C00004861 |
| − | NAME 5,6,3',5'-Tetrahydroxy-3,7,8,4'-tetramethoxyflavone | + | NAME 5,6,3',5'-Tetrahydroxy-3,7,8,4'-tetramethoxyflavone |
| − | CAS_RN 102673-78-9 | + | CAS_RN 102673-78-9 |
| − | FORMULA C19H18O10 | + | FORMULA C19H18O10 |
| − | EXACTMASS 406.089996796 | + | EXACTMASS 406.089996796 |
| − | AVERAGEMASS 406.34022000000004 | + | AVERAGEMASS 406.34022000000004 |
| − | SMILES c(OC)(c(O)1)c(O)cc(C(O2)=C(C(c(c3O)c2c(c(c3O)OC)OC)=O)OC)c1 | + | SMILES c(OC)(c(O)1)c(O)cc(C(O2)=C(C(c(c3O)c2c(c(c3O)OC)OC)=O)OC)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 31 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
-1.7639 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8763 -1.1394 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
-2.6775 0.4428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1775 1.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4859 0.7182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0494 1.6179 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
2 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
1 26 1 0 0 0 0
26 27 1 0 0 0 0
6 28 1 0 0 0 0
28 29 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 28 29
M SBL 4 1 30
M SMT 4 OCH3
M SVB 4 30 -1.4859 0.7182
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 26 27
M SBL 3 1 28
M SMT 3 OCH3
M SVB 3 28 -2.6775 0.4428
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 FL5FGGNS0004
KNApSAcK_ID C00004861
NAME 5,6,3',5'-Tetrahydroxy-3,7,8,4'-tetramethoxyflavone
CAS_RN 102673-78-9
FORMULA C19H18O10
EXACTMASS 406.089996796
AVERAGEMASS 406.34022000000004
SMILES c(OC)(c(O)1)c(O)cc(C(O2)=C(C(c(c3O)c2c(c(c3O)OC)OC)=O)OC)c1
M END
