Mol:FL3FALNS0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4197 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4197 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4197 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4197 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8633 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8633 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3070 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3070 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3070 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3070 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8633 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8633 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7507 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7507 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1944 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1944 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1944 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1944 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7507 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7507 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7507 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7507 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3617 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3617 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9286 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9286 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4956 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4956 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4956 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4956 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9286 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9286 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3617 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3617 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8633 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8633 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9286 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9286 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7769 0.4428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7769 0.4428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2768 1.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2768 1.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0624 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0624 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7769 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7769 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0044 1.4185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0044 1.4185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4957 2.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4957 2.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3616 -0.3549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3616 -0.3549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2276 -0.8549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2276 -0.8549 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 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 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 |
| − | 17 24 1 0 0 0 0 | + | 17 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 14 26 1 0 0 0 0 | + | 14 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 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 26 27 | + | M SAL 4 2 26 27 |
| − | M SBL 4 1 28 | + | M SBL 4 1 28 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 28 1.7052 -0.0612 | + | M SVB 4 28 1.7052 -0.0612 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 24 25 | + | M SAL 3 2 24 25 |
| − | M SBL 3 1 26 | + | M SBL 3 1 26 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 26 0.0044 1.4185 | + | M SVB 3 26 0.0044 1.4185 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 24 2.0624 1.127 | + | M SVB 2 24 2.0624 1.127 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 22 -2.7769 0.4428 | + | M SVB 1 22 -2.7769 0.4428 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FALNS0007 | + | ID FL3FALNS0007 |
| − | KNApSAcK_ID C00003964 | + | KNApSAcK_ID C00003964 |
| − | NAME 5,3'-Dihydroxy-7,2',4',5'-tetramethoxyflavone | + | NAME 5,3'-Dihydroxy-7,2',4',5'-tetramethoxyflavone |
| − | CAS_RN 132923-23-0 | + | CAS_RN 132923-23-0 |
| − | FORMULA C19H18O8 | + | FORMULA C19H18O8 |
| − | EXACTMASS 374.100167552 | + | EXACTMASS 374.100167552 |
| − | AVERAGEMASS 374.34142 | + | AVERAGEMASS 374.34142 |
| − | SMILES c(c3OC)c(c(c(c3OC)O)OC)C(O1)=CC(c(c(O)2)c1cc(OC)c2)=O | + | SMILES c(c3OC)c(c(c(c3OC)O)OC)C(O1)=CC(c(c(O)2)c1cc(OC)c2)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-2.4197 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4197 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8633 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3070 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3070 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8633 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1944 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1944 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8633 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7769 0.4428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2768 1.3089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0624 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7769 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0044 1.4185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4957 2.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3616 -0.3549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2276 -0.8549 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
16 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
15 22 1 0 0 0 0
22 23 1 0 0 0 0
17 24 1 0 0 0 0
24 25 1 0 0 0 0
14 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 26 27
M SBL 4 1 28
M SMT 4 OCH3
M SVB 4 28 1.7052 -0.0612
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 24 25
M SBL 3 1 26
M SMT 3 OCH3
M SVB 3 26 0.0044 1.4185
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 2.0624 1.127
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 -2.7769 0.4428
S SKP 8
ID FL3FALNS0007
KNApSAcK_ID C00003964
NAME 5,3'-Dihydroxy-7,2',4',5'-tetramethoxyflavone
CAS_RN 132923-23-0
FORMULA C19H18O8
EXACTMASS 374.100167552
AVERAGEMASS 374.34142
SMILES c(c3OC)c(c(c(c3OC)O)OC)C(O1)=CC(c(c(O)2)c1cc(OC)c2)=O
M END
