Mol:FL2FALNI0017
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 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 3 0 0 0 0 0 0 0 0 0 | + | -0.1166 -0.3001 0.0000 C 0 0 3 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 |
| − | 0.4904 -0.4622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4904 -0.4622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2049 -0.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2049 -0.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0466 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0466 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4533 2.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4533 2.1022 0.0000 C 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 |
| − | 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 |
| − | 17 27 1 0 0 0 0 | + | 17 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 29 30 | + | M SAL 3 2 29 30 |
| − | M SBL 3 1 31 | + | M SBL 3 1 31 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 31 2.006 0.9253 | + | M SVB 3 31 2.006 0.9253 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 27 28 | + | M SAL 2 2 27 28 |
| − | M SBL 2 1 29 | + | M SBL 2 1 29 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 29 0.0466 1.2361 | + | M SVB 2 29 0.0466 1.2361 |
| − | 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 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 27 0.4904 -0.4622 | + | M SVB 1 27 0.4904 -0.4622 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FALNI0017 | + | ID FL2FALNI0017 |
| − | KNApSAcK_ID C00008503 | + | KNApSAcK_ID C00008503 |
| − | NAME Heteroflavanone C | + | NAME Heteroflavanone C |
| − | CAS_RN 156127-36-5 | + | CAS_RN 156127-36-5 |
| − | FORMULA C23H26O7 | + | FORMULA C23H26O7 |
| − | EXACTMASS 414.167853186 | + | EXACTMASS 414.167853186 |
| − | AVERAGEMASS 414.44834000000003 | + | AVERAGEMASS 414.44834000000003 |
| − | SMILES C(Cc(c31)c(cc(c(C(=O)CC(O3)c(c(OC)2)c(OC)cc(c2)OC)1)O)O)=C(C)C | + | SMILES C(Cc(c31)c(cc(c(C(=O)CC(O3)c(c(OC)2)c(OC)cc(c2)OC)1)O)O)=C(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 32 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 3 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
0.4904 -0.4622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2049 -0.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0466 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4533 2.1022 0.0000 C 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
13 25 1 0 0 0 0
25 26 1 0 0 0 0
17 27 1 0 0 0 0
27 28 1 0 0 0 0
15 29 1 0 0 0 0
29 30 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 29 30
M SBL 3 1 31
M SMT 3 OCH3
M SVB 3 31 2.006 0.9253
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 27 28
M SBL 2 1 29
M SMT 2 OCH3
M SVB 2 29 0.0466 1.2361
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 0.4904 -0.4622
S SKP 8
ID FL2FALNI0017
KNApSAcK_ID C00008503
NAME Heteroflavanone C
CAS_RN 156127-36-5
FORMULA C23H26O7
EXACTMASS 414.167853186
AVERAGEMASS 414.44834000000003
SMILES C(Cc(c31)c(cc(c(C(=O)CC(O3)c(c(OC)2)c(OC)cc(c2)OC)1)O)O)=C(C)C
M END
