Mol:FL6FBBNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 23 0 0 0 0 0 0 0 0999 V2000 | + | 21 23 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3202 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3202 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3202 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3202 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7639 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7639 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2076 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2076 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2076 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2076 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7639 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7639 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6513 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6513 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0950 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0950 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0950 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0950 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6513 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6513 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4611 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4611 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0281 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0281 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5950 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5950 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5950 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5950 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0281 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0281 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4611 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4611 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8763 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8763 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1618 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1618 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8763 1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8763 1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2003 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2003 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4859 -1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4859 -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 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 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 -5.6680 2.8571 | + | M SBV 1 20 -5.6680 2.8571 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 20 21 | + | M SAL 2 2 20 21 |
| − | M SBL 2 1 22 | + | M SBL 2 1 22 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 22 -6.6713 2.3693 | + | M SBV 2 22 -6.6713 2.3693 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL6FBBNS0001 | + | ID FL6FBBNS0001 |
| − | KNApSAcK_ID C00008756 | + | KNApSAcK_ID C00008756 |
| − | NAME 7-Hydroxy-5,4'-dimethoxyflavan | + | NAME 7-Hydroxy-5,4'-dimethoxyflavan |
| − | CAS_RN 103461-94-5 | + | CAS_RN 103461-94-5 |
| − | FORMULA C17H18O4 | + | FORMULA C17H18O4 |
| − | EXACTMASS 286.120509064 | + | EXACTMASS 286.120509064 |
| − | AVERAGEMASS 286.32241999999997 | + | AVERAGEMASS 286.32241999999997 |
| − | SMILES COc(c3)ccc(c3)C(C2)Oc(c1)c(C2)c(OC)cc(O)1 | + | SMILES COc(c3)ccc(c3)C(C2)Oc(c1)c(C2)c(OC)cc(O)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/
21 23 0 0 0 0 0 0 0 0999 V2000
-2.3202 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3202 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 -0.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -0.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 0.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 0.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 0.4378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 1.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 1.0925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8763 0.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1618 1.4197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8763 1.0072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2003 -1.0073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4859 -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
14 18 1 0 0 0 0
18 19 1 0 0 0 0
3 20 1 0 0 0 0
20 21 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 -5.6680 2.8571
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 22
M SMT 2 OCH3
M SBV 2 22 -6.6713 2.3693
S SKP 8
ID FL6FBBNS0001
KNApSAcK_ID C00008756
NAME 7-Hydroxy-5,4'-dimethoxyflavan
CAS_RN 103461-94-5
FORMULA C17H18O4
EXACTMASS 286.120509064
AVERAGEMASS 286.32241999999997
SMILES COc(c3)ccc(c3)C(C2)Oc(c1)c(C2)c(OC)cc(O)1
M END
