Mol:FLIA1ANP0003
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 28 0 0 0 0 0 0 0 0999 V2000 | + | 25 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8886 0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8886 0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8886 -0.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8886 -0.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3323 -0.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3323 -0.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7760 -0.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7760 -0.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7760 0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7760 0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3323 0.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3323 0.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2197 -0.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2197 -0.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3366 -0.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3366 -0.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3366 0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3366 0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2197 0.7659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2197 0.7659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8927 -0.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8927 -0.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8927 -1.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8927 -1.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4875 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4875 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0823 -1.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0823 -1.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0823 -0.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0823 -0.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4875 -0.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4875 -0.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2197 -1.1610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2197 -1.1610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3323 1.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3323 1.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8886 1.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8886 1.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4449 1.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4449 1.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4449 0.7659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4449 0.7659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8610 1.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8610 1.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0343 1.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0343 1.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9483 -1.7056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9483 -1.7056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8144 -2.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8144 -2.2056 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 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 1 1 0 0 0 0 | + | 21 1 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 14 24 1 0 0 0 0 | + | 14 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 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 27 2.3198 -1.4118 | + | M SVB 1 27 2.3198 -1.4118 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA1ANP0003 | + | ID FLIA1ANP0003 |
| − | KNApSAcK_ID C00009433 | + | KNApSAcK_ID C00009433 |
| − | NAME Calopogoniumisoflavone A | + | NAME Calopogoniumisoflavone A |
| − | CAS_RN 31273-64-0 | + | CAS_RN 31273-64-0 |
| − | FORMULA C21H18O4 | + | FORMULA C21H18O4 |
| − | EXACTMASS 334.120509064 | + | EXACTMASS 334.120509064 |
| − | AVERAGEMASS 334.36521999999997 | + | AVERAGEMASS 334.36521999999997 |
| − | SMILES c(c4)c(ccc(OC)4)C(C(=O)3)=COc(c32)c(c(cc2)1)C=CC(C)(C)O1 | + | SMILES c(c4)c(ccc(OC)4)C(C(=O)3)=COc(c32)c(c(cc2)1)C=CC(C)(C)O1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 28 0 0 0 0 0 0 0 0999 V2000
-1.8886 0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8886 -0.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3323 -0.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7760 -0.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7760 0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3323 0.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2197 -0.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3366 -0.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3366 0.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2197 0.7659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8927 -0.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8927 -1.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4875 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0823 -1.2056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0823 -0.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4875 -0.1754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2197 -1.1610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3323 1.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8886 1.7294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4449 1.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4449 0.7659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8610 1.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0343 1.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9483 -1.7056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8144 -2.2056 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
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 0 0 0
11 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 11 1 0 0 0 0
7 17 2 0 0 0 0
6 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 1 1 0 0 0 0
20 22 1 0 0 0 0
20 23 1 0 0 0 0
14 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 27
M SMT 1 OCH3
M SVB 1 27 2.3198 -1.4118
S SKP 8
ID FLIA1ANP0003
KNApSAcK_ID C00009433
NAME Calopogoniumisoflavone A
CAS_RN 31273-64-0
FORMULA C21H18O4
EXACTMASS 334.120509064
AVERAGEMASS 334.36521999999997
SMILES c(c4)c(ccc(OC)4)C(C(=O)3)=COc(c32)c(c(cc2)1)C=CC(C)(C)O1
M END
