Mol:FL2FABNI0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2001 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2001 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6792 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6792 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1583 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1583 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1583 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1583 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6792 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6792 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2001 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2001 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6374 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6374 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1166 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1166 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1166 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1166 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6374 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6374 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4038 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4038 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6374 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6374 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9382 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9382 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4725 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4725 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4725 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4725 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9382 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9382 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4038 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4038 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6792 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6792 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7205 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7205 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6792 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6792 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1996 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1996 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1996 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1996 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7200 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7200 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6792 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6792 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6377 0.6489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6377 0.6489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0060 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0060 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7205 0.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7205 0.5128 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 5 20 1 0 0 0 0 | + | 5 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 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 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 15 26 1 0 0 0 0 | + | 15 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 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 26 27 | + | M SAL 1 2 26 27 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 28 -7.8764 4.5634 | + | M SBV 1 28 -7.8764 4.5634 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FABNI0005 | + | ID FL2FABNI0005 |
| − | KNApSAcK_ID C00008507 | + | KNApSAcK_ID C00008507 |
| − | NAME 5,7-Dihydroxy-4'-methoxy-8-C-(2-hydroxy-3-methyl-3-butenyl)flavanone | + | NAME 5,7-Dihydroxy-4'-methoxy-8-C-(2-hydroxy-3-methyl-3-butenyl)flavanone |
| − | CAS_RN 145631-55-6 | + | CAS_RN 145631-55-6 |
| − | FORMULA C21H22O6 | + | FORMULA C21H22O6 |
| − | EXACTMASS 370.141638436 | + | EXACTMASS 370.141638436 |
| − | AVERAGEMASS 370.39578 | + | AVERAGEMASS 370.39578 |
| − | SMILES c(c(CC(O)=C(C)C)3)(c2c(cc(O)3)O)OC(CC(=O)2)c(c1)ccc(OC)c1 | + | SMILES c(c(CC(O)=C(C)C)3)(c2c(cc(O)3)O)OC(CC(=O)2)c(c1)ccc(OC)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-2.2001 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6792 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1583 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1583 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6792 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2001 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6374 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1166 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1166 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6374 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4038 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6374 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9382 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4725 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4725 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9382 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4038 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6792 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7205 0.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6792 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1996 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1996 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7200 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6792 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6377 0.6489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0060 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7205 0.5128 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
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 11 1 0 0 0 0
2 18 1 0 0 0 0
6 19 1 0 0 0 0
5 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
21 25 1 0 0 0 0
15 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 28
M SMT 1 OCH3
M SBV 1 28 -7.8764 4.5634
S SKP 8
ID FL2FABNI0005
KNApSAcK_ID C00008507
NAME 5,7-Dihydroxy-4'-methoxy-8-C-(2-hydroxy-3-methyl-3-butenyl)flavanone
CAS_RN 145631-55-6
FORMULA C21H22O6
EXACTMASS 370.141638436
AVERAGEMASS 370.39578
SMILES c(c(CC(O)=C(C)C)3)(c2c(cc(O)3)O)OC(CC(=O)2)c(c1)ccc(OC)c1
M END
