Mol:FL1CA9NP0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.9999 0.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9999 0.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9999 -0.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9999 -0.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5562 -0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5562 -0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1125 -0.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1125 -0.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1125 0.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1125 0.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5562 0.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5562 0.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7430 -0.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7430 -0.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2993 -0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2993 -0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1869 -0.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1869 -0.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3741 -0.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3741 -0.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1869 -1.0159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1869 -1.0159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3741 0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3741 0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9267 0.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9267 0.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4794 0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4794 0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4794 -0.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4794 -0.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9267 -0.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9267 -0.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9267 -0.9988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9267 -0.9988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0319 0.9155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0319 0.9155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0319 -0.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0319 -0.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5832 -0.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5832 -0.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5832 0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5832 0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0026 1.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0026 1.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1125 0.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1125 0.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1997 0.9278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1997 0.9278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9142 0.5153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9142 0.5153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 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 8 1 0 0 0 0 | + | 2 8 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 |
| − | 17 16 1 0 0 0 0 | + | 17 16 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 21 20 1 0 0 0 0 | + | 21 20 1 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 |
| − | 12 24 1 0 0 0 0 | + | 12 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 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 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 SBV 1 26 -5.0122 4.3432 | + | M SBV 1 26 -5.0122 4.3432 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CA9NP0004 | + | ID FL1CA9NP0004 |
| − | KNApSAcK_ID C00007084 | + | KNApSAcK_ID C00007084 |
| − | NAME Pongachalcone I | + | NAME Pongachalcone I |
| − | CAS_RN 41724-53-2,51703-76-5 | + | CAS_RN 41724-53-2,51703-76-5 |
| − | FORMULA C21H20O4 | + | FORMULA C21H20O4 |
| − | EXACTMASS 336.136159128 | + | EXACTMASS 336.136159128 |
| − | AVERAGEMASS 336.38109999999995 | + | AVERAGEMASS 336.38109999999995 |
| − | SMILES COc(c2C(=O)C=Cc(c3)cccc3)cc(c(c2O)1)OC(C=C1)(C)C | + | SMILES COc(c2C(=O)C=Cc(c3)cccc3)cc(c(c2O)1)OC(C=C1)(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
1.9999 0.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9999 -0.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5562 -0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1125 -0.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1125 0.5882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5562 0.9094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7430 -0.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2993 -0.3753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1869 -0.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3741 -0.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1869 -1.0159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3741 0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9267 0.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4794 0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4794 -0.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9267 -0.3607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9267 -0.9988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0319 0.9155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0319 -0.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5832 -0.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5832 0.5965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0026 1.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1125 0.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1997 0.9278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9142 0.5153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 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
17 16 1 0 0 0 0
14 18 1 0 0 0 0
15 19 1 0 0 0 0
19 20 2 0 0 0 0
18 21 1 0 0 0 0
21 20 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
12 24 1 0 0 0 0
24 25 1 0 0 0 0
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 SBV 1 26 -5.0122 4.3432
S SKP 8
ID FL1CA9NP0004
KNApSAcK_ID C00007084
NAME Pongachalcone I
CAS_RN 41724-53-2,51703-76-5
FORMULA C21H20O4
EXACTMASS 336.136159128
AVERAGEMASS 336.38109999999995
SMILES COc(c2C(=O)C=Cc(c3)cccc3)cc(c(c2O)1)OC(C=C1)(C)C
M END
