Mol:FL1DBCNI0001
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 33 0 0 0 0 0 0 0 0999 V2000 | + | 32 33 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.6913 0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6913 0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6913 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6913 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1560 -0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1560 -0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6208 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6208 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6208 0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6208 0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1560 0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1560 0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1237 -0.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1237 -0.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6593 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6593 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1949 -0.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1949 -0.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7317 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7317 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1949 -0.8024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1949 -0.8024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7317 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7317 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2482 0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2482 0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2354 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2354 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2354 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2354 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2482 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2482 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2482 -0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2482 -0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7188 0.8374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7188 0.8374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0852 0.7848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0852 0.7848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0852 -0.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0852 -0.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7188 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7188 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2011 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2011 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6834 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6834 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1644 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1644 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6455 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6455 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1254 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1254 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6834 -0.8347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6834 -0.8347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6053 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6053 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0852 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0852 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6053 -0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6053 -0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2152 0.8374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2152 0.8374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9296 0.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9296 0.4249 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 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 5 19 1 0 0 0 0 | + | 5 19 1 0 0 0 0 |
| − | 4 20 1 0 0 0 0 | + | 4 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 26 28 2 0 0 0 0 | + | 26 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 12 31 1 0 0 0 0 | + | 12 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 32 | + | M SBL 1 1 32 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 32 -4.3287 4.9002 | + | M SBV 1 32 -4.3287 4.9002 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DBCNI0001 | + | ID FL1DBCNI0001 |
| − | KNApSAcK_ID C00008021 | + | KNApSAcK_ID C00008021 |
| − | NAME 3'-Geranyl-3,4,2',4'-tetrahydroxy-6'-methoxydihydrochalcone | + | NAME 3'-Geranyl-3,4,2',4'-tetrahydroxy-6'-methoxydihydrochalcone |
| − | CAS_RN 122585-63-1 | + | CAS_RN 122585-63-1 |
| − | FORMULA C26H32O6 | + | FORMULA C26H32O6 |
| − | EXACTMASS 440.219888756 | + | EXACTMASS 440.219888756 |
| − | AVERAGEMASS 440.52867999999995 | + | AVERAGEMASS 440.52867999999995 |
| − | SMILES c(c2O)(c(OC)cc(c2CC=C(CCC=C(C)C)C)O)C(CCc(c1)cc(O)c(c1)O)=O | + | SMILES c(c2O)(c(OC)cc(c2CC=C(CCC=C(C)C)C)O)C(CCc(c1)cc(O)c(c1)O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 33 0 0 0 0 0 0 0 0999 V2000
2.6913 0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6913 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1560 -0.2883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6208 -0.0200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6208 0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1560 0.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1237 -0.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6593 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1949 -0.2675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7317 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1949 -0.8024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7317 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2482 0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2354 0.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2354 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2482 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2482 -0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7188 0.8374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0852 0.7848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0852 -0.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7188 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2011 -0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6834 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1644 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6455 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1254 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6834 -0.8347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6053 -0.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0852 -0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6053 -0.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2152 0.8374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9296 0.4249 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
16 17 1 0 0 0 0
14 18 1 0 0 0 0
5 19 1 0 0 0 0
4 20 1 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
23 27 1 0 0 0 0
26 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
12 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 32
M SMT 1 OCH3
M SBV 1 32 -4.3287 4.9002
S SKP 8
ID FL1DBCNI0001
KNApSAcK_ID C00008021
NAME 3'-Geranyl-3,4,2',4'-tetrahydroxy-6'-methoxydihydrochalcone
CAS_RN 122585-63-1
FORMULA C26H32O6
EXACTMASS 440.219888756
AVERAGEMASS 440.52867999999995
SMILES c(c2O)(c(OC)cc(c2CC=C(CCC=C(C)C)C)O)C(CCc(c1)cc(O)c(c1)O)=O
M END
