Mol:FL2FALNI0018
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2004 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2004 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6795 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6795 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1586 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1586 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1586 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1586 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6795 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6795 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2004 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2004 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6377 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6377 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1168 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1168 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1168 -0.3001 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.1168 -0.3001 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.6377 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6377 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4036 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4036 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6377 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6377 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9379 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9379 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4723 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4723 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4723 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4723 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9379 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9379 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4036 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4036 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6795 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6795 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6795 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6795 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1998 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1998 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1998 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1998 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7202 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7202 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6795 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6795 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4902 -0.4622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4902 -0.4622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2046 -0.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2046 -0.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0057 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0057 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7202 0.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7202 0.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5576 0.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5576 0.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0576 1.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0576 1.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0463 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0463 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4537 2.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4537 2.1021 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 |
| − | 5 19 1 0 0 0 0 | + | 5 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 13 24 1 0 0 0 0 | + | 13 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 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 |
| − | 6 28 1 0 0 0 0 | + | 6 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 17 30 1 0 0 0 0 | + | 17 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 30 31 | + | M SAL 4 2 30 31 |
| − | M SBL 4 1 32 | + | M SBL 4 1 32 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 32 0.0463 1.2361 | + | M SVB 4 32 0.0463 1.2361 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 28 29 | + | M SAL 3 2 28 29 |
| − | M SBL 3 1 30 | + | M SBL 3 1 30 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 30 -2.5576 0.3186 | + | M SVB 3 30 -2.5576 0.3186 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 26 27 | + | M SAL 2 2 26 27 |
| − | M SBL 2 1 28 | + | M SBL 2 1 28 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 28 2.0057 0.9253 | + | M SVB 2 28 2.0057 0.9253 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 26 | + | M SBL 1 1 26 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 26 0.4902 -0.4622 | + | M SVB 1 26 0.4902 -0.4622 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FALNI0018 | + | ID FL2FALNI0018 |
| − | KNApSAcK_ID C00008505 | + | KNApSAcK_ID C00008505 |
| − | NAME Heteroflavanone B | + | NAME Heteroflavanone B |
| − | CAS_RN 151171-29-8 | + | CAS_RN 151171-29-8 |
| − | FORMULA C24H28O7 | + | FORMULA C24H28O7 |
| − | EXACTMASS 428.18350325 | + | EXACTMASS 428.18350325 |
| − | AVERAGEMASS 428.47492 | + | AVERAGEMASS 428.47492 |
| − | SMILES c(c3OC)(c(cc(c3)OC)OC)C(O2)CC(c(c12)c(O)cc(OC)c(CC=C(C)C)1)=O | + | SMILES c(c3OC)(c(cc(c3)OC)OC)C(O2)CC(c(c12)c(O)cc(OC)c(CC=C(C)C)1)=O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-2.2004 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1586 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1586 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2004 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6377 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1168 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1168 -0.3001 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.6377 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4036 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6377 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9379 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4723 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4723 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9379 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4036 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1998 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1998 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7202 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6795 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4902 -0.4622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2046 -0.8747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0057 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7202 0.5128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5576 0.3186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0576 1.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0463 1.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4537 2.1021 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
5 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
13 24 1 0 0 0 0
24 25 1 0 0 0 0
15 26 1 0 0 0 0
26 27 1 0 0 0 0
6 28 1 0 0 0 0
28 29 1 0 0 0 0
17 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 30 31
M SBL 4 1 32
M SMT 4 OCH3
M SVB 4 32 0.0463 1.2361
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 28 29
M SBL 3 1 30
M SMT 3 OCH3
M SVB 3 30 -2.5576 0.3186
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 26 27
M SBL 2 1 28
M SMT 2 OCH3
M SVB 2 28 2.0057 0.9253
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 26
M SMT 1 OCH3
M SVB 1 26 0.4902 -0.4622
S SKP 8
ID FL2FALNI0018
KNApSAcK_ID C00008505
NAME Heteroflavanone B
CAS_RN 151171-29-8
FORMULA C24H28O7
EXACTMASS 428.18350325
AVERAGEMASS 428.47492
SMILES c(c3OC)(c(cc(c3)OC)OC)C(O2)CC(c(c12)c(O)cc(OC)c(CC=C(C)C)1)=O
M END
