Mol:FL6F1CNS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 20 22 0 0 0 0 0 0 0 0999 V2000 | + | 20 22 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3202 -0.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3202 -0.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3202 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3202 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7639 -1.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7639 -1.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2076 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2076 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2076 -0.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2076 -0.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7639 -0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7639 -0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6513 -1.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6513 -1.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0950 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0950 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0950 -0.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0950 -0.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6513 -0.1758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6513 -0.1758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4611 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4611 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0281 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0281 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5950 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5950 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5950 0.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5950 0.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0281 0.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0281 0.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4611 0.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4611 0.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8763 -0.1760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8763 -0.1760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0281 1.4606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0281 1.4606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1618 0.8060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1618 0.8060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8763 0.3935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8763 0.3935 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 |
| − | 15 18 1 0 0 0 0 | + | 15 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 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 19 20 | + | M SAL 1 2 19 20 |
| − | M SBL 1 1 21 | + | M SBL 1 1 21 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 21 -5.4824 3.8521 | + | M SBV 1 21 -5.4824 3.8521 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL6F1CNS0003 | + | ID FL6F1CNS0003 |
| − | KNApSAcK_ID C00008760 | + | KNApSAcK_ID C00008760 |
| − | NAME 7,3'-Dihydroxy-4'-methoxyflavan | + | NAME 7,3'-Dihydroxy-4'-methoxyflavan |
| − | CAS_RN 162290-05-3 | + | CAS_RN 162290-05-3 |
| − | FORMULA C16H16O4 | + | FORMULA C16H16O4 |
| − | EXACTMASS 272.104859 | + | EXACTMASS 272.104859 |
| − | AVERAGEMASS 272.29584 | + | AVERAGEMASS 272.29584 |
| − | SMILES COc(c3)c(O)cc(c3)C(C1)Oc(c2)c(ccc(O)2)C1 | + | SMILES COc(c3)c(O)cc(c3)C(C1)Oc(c2)c(ccc(O)2)C1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
20 22 0 0 0 0 0 0 0 0999 V2000
-2.3202 -0.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3202 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 -1.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 -0.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 -0.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 -1.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -1.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -0.4970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 -0.1758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 -0.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 0.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 0.8061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 0.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8763 -0.1760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 1.4606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1618 0.8060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8763 0.3935 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
15 18 1 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SBV 1 21 -5.4824 3.8521
S SKP 8
ID FL6F1CNS0003
KNApSAcK_ID C00008760
NAME 7,3'-Dihydroxy-4'-methoxyflavan
CAS_RN 162290-05-3
FORMULA C16H16O4
EXACTMASS 272.104859
AVERAGEMASS 272.29584
SMILES COc(c3)c(O)cc(c3)C(C1)Oc(c2)c(ccc(O)2)C1
M END
