Mol:FL6FDBNS0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 24 0 0 0 0 0 0 0 0999 V2000 | + | 22 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4197 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4197 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4197 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4197 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8634 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8634 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3070 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3070 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3070 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3070 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8634 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8634 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7507 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7507 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1944 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1944 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1944 0.1167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.1944 0.1167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.7507 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7507 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3617 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3617 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9286 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9286 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4956 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4956 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4956 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4956 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9286 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9286 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3617 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3617 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2998 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2998 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5853 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5853 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0624 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0624 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7769 1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7769 1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7769 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7769 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2768 1.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2768 1.6016 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 1 0 0 0 0 | + | 8 9 1 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 21 22 | + | M SAL 3 2 21 22 |
| − | M SBL 3 1 23 | + | M SBL 3 1 23 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 23 -2.7769 0.7355 | + | M SVB 3 23 -2.7769 0.7355 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 19 20 | + | M SAL 2 2 19 20 |
| − | M SBL 2 1 21 | + | M SBL 2 1 21 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 21 2.0624 1.4197 | + | M SVB 2 21 2.0624 1.4197 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 17 18 | + | M SAL 1 2 17 18 |
| − | M SBL 1 1 19 | + | M SBL 1 1 19 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 19 -2.2998 -1.0073 | + | M SVB 1 19 -2.2998 -1.0073 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL6FDBNS0001 | + | ID FL6FDBNS0001 |
| − | KNApSAcK_ID C00008757 | + | KNApSAcK_ID C00008757 |
| − | NAME 5,7,4'-Trimethoxyflavan | + | NAME 5,7,4'-Trimethoxyflavan |
| − | CAS_RN 4225-32-5 | + | CAS_RN 4225-32-5 |
| − | FORMULA C18H20O4 | + | FORMULA C18H20O4 |
| − | EXACTMASS 300.136159128 | + | EXACTMASS 300.136159128 |
| − | AVERAGEMASS 300.349 | + | AVERAGEMASS 300.349 |
| − | SMILES c(C(C3)Oc(c2C3)cc(OC)cc2OC)(c1)ccc(OC)c1 | + | SMILES c(C(C3)Oc(c2C3)cc(OC)cc2OC)(c1)ccc(OC)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-2.4197 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4197 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3070 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3070 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8634 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7507 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1944 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1944 0.1167 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.7507 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4956 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9286 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3617 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2998 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5853 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0624 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7769 1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7769 0.7355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2768 1.6016 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
3 17 1 0 0 0 0
17 18 1 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 21 22
M SBL 3 1 23
M SMT 3 OCH3
M SVB 3 23 -2.7769 0.7355
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 19 20
M SBL 2 1 21
M SMT 2 OCH3
M SVB 2 21 2.0624 1.4197
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 17 18
M SBL 1 1 19
M SMT 1 OCH3
M SVB 1 19 -2.2998 -1.0073
S SKP 8
ID FL6FDBNS0001
KNApSAcK_ID C00008757
NAME 5,7,4'-Trimethoxyflavan
CAS_RN 4225-32-5
FORMULA C18H20O4
EXACTMASS 300.136159128
AVERAGEMASS 300.349
SMILES c(C(C3)Oc(c2C3)cc(OC)cc2OC)(c1)ccc(OC)c1
M END
