Mol:FL6FA9NS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 19 21 0 0 0 0 0 0 0 0999 V2000 | + | 19 21 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6796 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6796 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6796 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6796 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1233 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1233 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5670 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5670 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5670 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5670 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1233 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1233 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0107 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0107 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5456 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5456 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5456 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5456 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0107 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0107 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1017 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1017 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6687 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6687 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2357 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2357 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2357 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2357 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6687 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6687 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1017 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1017 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2357 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2357 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5597 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5597 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8452 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8452 -1.4198 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 6 0 0 0 | + | 9 11 1 6 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 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 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 18 19 | + | M SAL 1 2 18 19 |
| − | M SBL 1 1 20 | + | M SBL 1 1 20 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 20 -6.0306 2.3693 | + | M SBV 1 20 -6.0306 2.3693 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL6FA9NS0001 | + | ID FL6FA9NS0001 |
| − | KNApSAcK_ID C00008750 | + | KNApSAcK_ID C00008750 |
| − | NAME 7-Hydroxy-5-methoxyflavan | + | NAME 7-Hydroxy-5-methoxyflavan |
| − | CAS_RN 35290-20-1 | + | CAS_RN 35290-20-1 |
| − | FORMULA C16H16O3 | + | FORMULA C16H16O3 |
| − | EXACTMASS 256.109944378 | + | EXACTMASS 256.109944378 |
| − | AVERAGEMASS 256.29643999999996 | + | AVERAGEMASS 256.29643999999996 |
| − | SMILES COc(c3)c(C2)c(cc(O)3)OC(C2)c(c1)cccc1 | + | SMILES COc(c3)c(C2)c(cc(O)3)OC(C2)c(c1)cccc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
19 21 0 0 0 0 0 0 0 0999 V2000
-1.6796 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6796 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5670 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5670 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0107 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5456 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5456 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0107 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1017 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2357 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2357 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1017 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2357 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5597 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8452 -1.4198 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 6 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
1 17 1 0 0 0 0
3 18 1 0 0 0 0
18 19 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 20
M SMT 1 OCH3
M SBV 1 20 -6.0306 2.3693
S SKP 8
ID FL6FA9NS0001
KNApSAcK_ID C00008750
NAME 7-Hydroxy-5-methoxyflavan
CAS_RN 35290-20-1
FORMULA C16H16O3
EXACTMASS 256.109944378
AVERAGEMASS 256.29643999999996
SMILES COc(c3)c(C2)c(cc(O)3)OC(C2)c(c1)cccc1
M END
