Mol:FL4DDANP0001
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 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.2989 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2989 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7780 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7780 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2572 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2572 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2572 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2572 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7780 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7780 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2989 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2989 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2637 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2637 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7846 -0.9016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.7846 -0.9016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 0.7846 -0.3001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.7846 -0.3001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 0.2637 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2637 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3050 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3050 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2637 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2637 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8393 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8393 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3737 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3737 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3737 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3737 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8393 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8393 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3050 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3050 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9072 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9072 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7780 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7780 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8198 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8198 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7780 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7780 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2984 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2984 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2984 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2984 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8188 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8188 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7780 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7780 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3407 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3407 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3407 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3407 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8198 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8198 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7188 0.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7188 0.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9072 -0.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9072 -0.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6506 -1.4016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6506 -1.4016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5166 -1.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5166 -1.9016 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 6 0 0 0 | + | 9 11 1 6 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 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 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 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 1 1 0 0 0 0 | + | 28 1 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 8 31 1 1 0 0 0 | + | 8 31 1 1 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 34 | + | M SBL 1 1 34 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 34 0.9478 -1.1079 | + | M SVB 1 34 0.9478 -1.1079 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DDANP0001 | + | ID FL4DDANP0001 |
| − | KNApSAcK_ID C00008623 | + | KNApSAcK_ID C00008623 |
| − | NAME 3-O-methyllupinifolinol | + | NAME 3-O-methyllupinifolinol |
| − | CAS_RN 120211-96-3 | + | CAS_RN 120211-96-3 |
| − | FORMULA C26H28O6 | + | FORMULA C26H28O6 |
| − | EXACTMASS 436.188588628 | + | EXACTMASS 436.188588628 |
| − | AVERAGEMASS 436.49692 | + | AVERAGEMASS 436.49692 |
| − | SMILES CO[C@H]([C@H]3c(c4)ccc(O)c4)C(c(c(O3)1)c(c(C=2)c(OC(C)(C)C2)c(CC=C(C)C)1)O)=O | + | SMILES CO[C@H]([C@H]3c(c4)ccc(O)c4)C(c(c(O3)1)c(c(C=2)c(OC(C)(C)C2)c(CC=C(C)C)1)O)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-1.2989 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7780 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2572 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2572 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7780 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2989 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2637 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7846 -0.9016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.7846 -0.3001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.2637 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3050 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2637 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8393 -0.3082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3737 0.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3737 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8393 0.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3050 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9072 0.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7780 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8198 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7780 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2984 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2984 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8188 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7780 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3407 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3407 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8198 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7188 0.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9072 -0.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6506 -1.4016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5166 -1.9016 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 6 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
15 18 1 0 0 0 0
2 19 1 0 0 0 0
6 20 1 0 0 0 0
5 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
23 25 1 0 0 0 0
20 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 1 1 0 0 0 0
26 29 1 0 0 0 0
26 30 1 0 0 0 0
8 31 1 1 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 34
M SMT 1 OCH3
M SVB 1 34 0.9478 -1.1079
S SKP 8
ID FL4DDANP0001
KNApSAcK_ID C00008623
NAME 3-O-methyllupinifolinol
CAS_RN 120211-96-3
FORMULA C26H28O6
EXACTMASS 436.188588628
AVERAGEMASS 436.49692
SMILES CO[C@H]([C@H]3c(c4)ccc(O)c4)C(c(c(O3)1)c(c(C=2)c(OC(C)(C)C2)c(CC=C(C)C)1)O)=O
M END
