Mol:FL6DA9NP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 29 0 0 0 0 0 0 0 0999 V2000 | + | 26 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3610 0.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3610 0.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3610 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3610 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8047 -0.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8047 -0.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2484 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2484 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2484 0.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2484 0.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8047 0.3968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8047 0.3968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3079 -0.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3079 -0.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8642 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8642 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8642 0.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8642 0.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3079 0.3968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3079 0.3968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4203 0.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4203 0.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9873 0.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9873 0.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5543 0.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5543 0.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5543 1.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5543 1.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9873 1.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9873 1.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4203 1.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4203 1.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3079 -1.5301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3079 -1.5301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3281 -1.0306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3281 -1.0306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8047 1.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8047 1.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3610 1.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3610 1.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9173 1.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9173 1.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9173 0.3968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9173 0.3968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4082 1.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4082 1.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5543 0.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5543 0.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2128 -1.0648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2128 -1.0648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4984 -1.4773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4984 -1.4773 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 |
| − | 8 18 1 1 0 0 0 | + | 8 18 1 1 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 1 1 0 0 0 0 | + | 22 1 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 3 25 1 0 0 0 0 | + | 3 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 28 -8.4475 3.6938 | + | M SBV 1 28 -8.4475 3.6938 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL6DA9NP0001 | + | ID FL6DA9NP0001 |
| − | KNApSAcK_ID C00009025 | + | KNApSAcK_ID C00009025 |
| − | NAME Quercetol A | + | NAME Quercetol A |
| − | CAS_RN 119061-05-1 | + | CAS_RN 119061-05-1 |
| − | FORMULA C21H22O5 | + | FORMULA C21H22O5 |
| − | EXACTMASS 354.146723814 | + | EXACTMASS 354.146723814 |
| − | AVERAGEMASS 354.39638 | + | AVERAGEMASS 354.39638 |
| − | SMILES COc(c24)cc(O1)c(c(OC(C(C4O)O)c(c3)cccc3)2)C=CC(C)(C)1 | + | SMILES COc(c24)cc(O1)c(c(OC(C(C4O)O)c(c3)cccc3)2)C=CC(C)(C)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/
26 29 0 0 0 0 0 0 0 0999 V2000
-1.3610 0.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3610 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8047 -0.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2484 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2484 0.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8047 0.3968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3079 -0.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8642 -0.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8642 0.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3079 0.3968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4203 0.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9873 0.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5543 0.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5543 1.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9873 1.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4203 1.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3079 -1.5301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3281 -1.0306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8047 1.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3610 1.3603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9173 1.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9173 0.3968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4082 1.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5543 0.8685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2128 -1.0648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4984 -1.4773 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
8 18 1 1 0 0 0
6 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 1 1 0 0 0 0
21 23 1 0 0 0 0
21 24 1 0 0 0 0
3 25 1 0 0 0 0
25 26 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 28
M SMT 1 OCH3
M SBV 1 28 -8.4475 3.6938
S SKP 8
ID FL6DA9NP0001
KNApSAcK_ID C00009025
NAME Quercetol A
CAS_RN 119061-05-1
FORMULA C21H22O5
EXACTMASS 354.146723814
AVERAGEMASS 354.39638
SMILES COc(c24)cc(O1)c(c(OC(C(C4O)O)c(c3)cccc3)2)C=CC(C)(C)1
M END
