Mol:FL1DE9NI0001
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 27 0 0 0 0 0 0 0 0999 V2000 | + | 26 27 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.9650 0.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9650 0.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9650 -0.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9650 -0.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4297 -0.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4297 -0.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8945 -0.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8945 -0.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8945 0.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8945 0.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4297 0.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4297 0.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3974 -0.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3974 -0.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9330 -0.2754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9330 -0.2754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4686 -0.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4686 -0.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0054 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0054 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4686 -1.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4686 -1.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0054 0.2823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0054 0.2823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4781 0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4781 0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9617 0.2823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9617 0.2823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9617 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9617 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4781 -0.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4781 -0.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8714 0.7823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8714 0.7823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4781 -1.1135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4781 -1.1135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4452 0.5614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4452 0.5614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9287 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9287 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4452 -0.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4452 -0.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4122 -0.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4122 -0.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8945 -0.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8945 -0.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4122 -1.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4122 -1.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2364 1.1135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2364 1.1135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1646 2.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1646 2.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 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 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
| − | 20 22 2 0 0 0 0 | + | 20 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 13 25 1 0 0 0 0 | + | 13 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 26 | + | M SBL 1 1 26 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 26 -0.2364 1.1135 | + | M SVB 1 26 -0.2364 1.1135 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DE9NI0001 | + | ID FL1DE9NI0001 |
| − | KNApSAcK_ID C00008011 | + | KNApSAcK_ID C00008011 |
| − | NAME 2',4',6'-Trihydroxy-3'-methoxy-5'-prenyldihydrochalcone | + | NAME 2',4',6'-Trihydroxy-3'-methoxy-5'-prenyldihydrochalcone |
| − | CAS_RN 77129-39-6 | + | CAS_RN 77129-39-6 |
| − | FORMULA C21H24O5 | + | FORMULA C21H24O5 |
| − | EXACTMASS 356.162373878 | + | EXACTMASS 356.162373878 |
| − | AVERAGEMASS 356.41226 | + | AVERAGEMASS 356.41226 |
| − | SMILES COc(c2O)c(O)c(c(c(CC=C(C)C)2)O)C(=O)CCc(c1)cccc1 | + | SMILES COc(c2O)c(O)c(c(c(CC=C(C)C)2)O)C(=O)CCc(c1)cccc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 27 0 0 0 0 0 0 0 0999 V2000
1.9650 0.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9650 -0.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4297 -0.5643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8945 -0.2960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8945 0.2406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4297 0.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3974 -0.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9330 -0.2754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4686 -0.5435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0054 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4686 -1.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0054 0.2823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4781 0.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9617 0.2823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9617 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4781 -0.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8714 0.7823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4781 -1.1135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4452 0.5614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9287 -0.2761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4452 -0.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4122 -0.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8945 -0.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4122 -1.1121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2364 1.1135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1646 2.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 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
9 11 2 0 0 0 0
2 7 1 0 0 0 0
10 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 10 1 0 0 0 0
12 17 1 0 0 0 0
16 18 1 0 0 0 0
14 19 1 0 0 0 0
20 21 1 0 0 0 0
21 15 1 0 0 0 0
20 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
13 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 26
M SMT 1 OCH3
M SVB 1 26 -0.2364 1.1135
S SKP 8
ID FL1DE9NI0001
KNApSAcK_ID C00008011
NAME 2',4',6'-Trihydroxy-3'-methoxy-5'-prenyldihydrochalcone
CAS_RN 77129-39-6
FORMULA C21H24O5
EXACTMASS 356.162373878
AVERAGEMASS 356.41226
SMILES COc(c2O)c(O)c(c(c(CC=C(C)C)2)O)C(=O)CCc(c1)cccc1
M END
