Mol:FLIAADNP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 36 0 0 0 0 0 0 0 0999 V2000 | + | 32 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6633 0.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6633 0.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6633 -0.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6633 -0.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1070 -0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1070 -0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5507 -0.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5507 -0.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5507 0.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5507 0.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1070 0.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1070 0.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0056 -0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0056 -0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5619 -0.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5619 -0.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5619 0.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5619 0.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0056 0.8187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0056 0.8187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1180 -0.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1180 -0.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1180 -1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1180 -1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7128 -1.4961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7128 -1.4961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3075 -1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3075 -1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3075 -0.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3075 -0.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7128 -0.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7128 -0.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0056 -1.1081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0056 -1.1081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1070 -1.1081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1070 -1.1081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9017 -1.4957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9017 -1.4957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2194 -0.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2194 -0.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2194 0.8186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2194 0.8186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1070 1.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1070 1.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6633 1.7818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6633 1.7818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2194 1.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2194 1.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2196 -1.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2196 -1.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6633 -1.4295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6633 -1.4295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5770 2.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5770 2.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9017 1.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9017 1.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0927 -1.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0927 -1.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3122 -2.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3122 -2.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2954 -1.6676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2954 -1.6676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0099 -2.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0099 -2.0801 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 2 0 0 0 0 | + | 8 9 2 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 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 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 21 1 0 0 0 0 | + | 24 21 1 0 0 0 0 |
| − | 20 25 1 0 0 0 0 | + | 20 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 18 1 0 0 0 0 | + | 26 18 1 0 0 0 0 |
| − | 24 27 1 0 0 0 0 | + | 24 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 13 31 1 0 0 0 0 | + | 13 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 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 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 35 -5.8097 3.7910 | + | M SBV 1 35 -5.8097 3.7910 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAADNP0001 | + | ID FLIAADNP0001 |
| − | KNApSAcK_ID C00009527 | + | KNApSAcK_ID C00009527 |
| − | NAME 1'',2''-Dihydro-O-methylcyclopomiferin | + | NAME 1'',2''-Dihydro-O-methylcyclopomiferin |
| − | CAS_RN 78876-33-2 | + | CAS_RN 78876-33-2 |
| − | FORMULA C26H28O6 | + | FORMULA C26H28O6 |
| − | EXACTMASS 436.188588628 | + | EXACTMASS 436.188588628 |
| − | AVERAGEMASS 436.49692 | + | AVERAGEMASS 436.49692 |
| − | SMILES C(C)(C)(O1)CCc(c34)c(c(C2)c(c3C(=O)C(c(c5)cc(c(O)c5)OC)=CO4)OC(C)(C)C2)1 | + | SMILES C(C)(C)(O1)CCc(c34)c(c(C2)c(c3C(=O)C(c(c5)cc(c(O)c5)OC)=CO4)OC(C)(C)C2)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 36 0 0 0 0 0 0 0 0999 V2000
-1.6633 0.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6633 -0.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1070 -0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5507 -0.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5507 0.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1070 0.8187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0056 -0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5619 -0.1448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5619 0.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0056 0.8187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1180 -0.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1180 -1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7128 -1.4961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3075 -1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3075 -0.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7128 -0.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0056 -1.1081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1070 -1.1081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9017 -1.4957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2194 -0.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2194 0.8186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1070 1.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6633 1.7818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2194 1.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2196 -1.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6633 -1.4295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5770 2.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9017 1.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0927 -1.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3122 -2.0377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2954 -1.6676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0099 -2.0801 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 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 2 0 0 0 0
3 18 1 0 0 0 0
14 19 1 0 0 0 0
2 20 1 0 0 0 0
1 21 1 0 0 0 0
6 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 21 1 0 0 0 0
20 25 1 0 0 0 0
25 26 1 0 0 0 0
26 18 1 0 0 0 0
24 27 1 0 0 0 0
24 28 1 0 0 0 0
26 29 1 0 0 0 0
26 30 1 0 0 0 0
13 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 35
M SMT 1 OCH3
M SBV 1 35 -5.8097 3.7910
S SKP 8
ID FLIAADNP0001
KNApSAcK_ID C00009527
NAME 1'',2''-Dihydro-O-methylcyclopomiferin
CAS_RN 78876-33-2
FORMULA C26H28O6
EXACTMASS 436.188588628
AVERAGEMASS 436.49692
SMILES C(C)(C)(O1)CCc(c34)c(c(C2)c(c3C(=O)C(c(c5)cc(c(O)c5)OC)=CO4)OC(C)(C)C2)1
M END
