Mol:FL6DDANI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 30 0 0 0 0 0 0 0 0999 V2000 | + | 28 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9629 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9629 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9629 -0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9629 -0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4066 -1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4066 -1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8503 -0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8503 -0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8503 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8503 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4066 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4066 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2940 -1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2940 -1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2623 -0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2623 -0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2623 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2623 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2940 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2940 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8184 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8184 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3854 -0.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3854 -0.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9524 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9524 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9524 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9524 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3854 0.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3854 0.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8184 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8184 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2940 -1.9268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2940 -1.9268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4066 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4066 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9629 0.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9629 0.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5192 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5192 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9629 1.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9629 1.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5190 1.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5190 1.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4068 1.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4068 1.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5192 0.9819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5192 0.9819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6719 -1.3764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6719 -1.3764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4969 -1.3764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4969 -1.3764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8147 -1.4615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8147 -1.4615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1003 -1.8740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1003 -1.8740 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 |
| − | 7 17 1 1 0 0 0 | + | 7 17 1 1 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 19 21 2 0 0 0 0 | + | 19 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 14 24 1 0 0 0 0 | + | 14 24 1 0 0 0 0 |
| − | 8 25 1 1 0 0 0 | + | 8 25 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 3 27 1 0 0 0 0 | + | 3 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 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 25 26 | + | M SAL 1 2 25 26 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 27 -4.9111 3.2054 | + | M SBV 1 27 -4.9111 3.2054 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 27 28 | + | M SAL 2 2 27 28 |
| − | M SBL 2 1 29 | + | M SBL 2 1 29 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 29 -5.7288 3.4414 | + | M SBV 2 29 -5.7288 3.4414 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL6DDANI0001 | + | ID FL6DDANI0001 |
| − | KNApSAcK_ID C00009029 | + | KNApSAcK_ID C00009029 |
| − | NAME 3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol | + | NAME 3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol |
| − | CAS_RN 76265-09-3 | + | CAS_RN 76265-09-3 |
| − | FORMULA C22H26O6 | + | FORMULA C22H26O6 |
| − | EXACTMASS 386.172938564 | + | EXACTMASS 386.172938564 |
| − | AVERAGEMASS 386.43824 | + | AVERAGEMASS 386.43824 |
| − | SMILES c(c3)(ccc(c3)C(C(OC)1)Oc(c2CC=C(C)C)c(c(OC)cc2O)C(O)1)O | + | SMILES c(c3)(ccc(c3)C(C(OC)1)Oc(c2CC=C(C)C)c(c(OC)cc2O)C(O)1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 30 0 0 0 0 0 0 0 0999 V2000
-1.9629 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9629 -0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4066 -1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8503 -0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8503 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4066 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2940 -1.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2623 -0.9635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2623 -0.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2940 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8184 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3854 -0.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9524 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9524 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3854 0.9820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8184 0.6546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2940 -1.9268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4066 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9629 0.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5192 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9629 1.6057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5190 1.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4068 1.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5192 0.9819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6719 -1.3764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4969 -1.3764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8147 -1.4615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1003 -1.8740 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
7 17 1 1 0 0 0
6 18 1 0 0 0 0
18 19 1 0 0 0 0
20 1 1 0 0 0 0
19 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
14 24 1 0 0 0 0
8 25 1 1 0 0 0
25 26 1 0 0 0 0
3 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 27
M SMT 1 OCH3
M SBV 1 27 -4.9111 3.2054
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 27 28
M SBL 2 1 29
M SMT 2 OCH3
M SBV 2 29 -5.7288 3.4414
S SKP 8
ID FL6DDANI0001
KNApSAcK_ID C00009029
NAME 3,5-Di-O-methyl-8-prenylafzelechin-4beta-ol
CAS_RN 76265-09-3
FORMULA C22H26O6
EXACTMASS 386.172938564
AVERAGEMASS 386.43824
SMILES c(c3)(ccc(c3)C(C(OC)1)Oc(c2CC=C(C)C)c(c(OC)cc2O)C(O)1)O
M END
