Mol:FL1CCANI0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 27 0 0 0 0 0 0 0 0999 V2000 | + | 26 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5005 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5005 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5005 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5005 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7860 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7860 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0716 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0716 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0716 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0716 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7860 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7860 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7860 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7860 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2150 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2150 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3571 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3571 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3571 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3571 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3571 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3571 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3574 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3574 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0718 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0718 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7863 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7863 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7863 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7863 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5008 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5008 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2153 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2153 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2153 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2153 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5008 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5008 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9297 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9297 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7860 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7860 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0716 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0716 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0716 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0716 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7860 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7860 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3571 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3571 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9297 0.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9297 0.4127 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 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
| − | 4 9 1 0 0 0 0 | + | 4 9 1 0 0 0 0 |
| − | 5 10 1 0 0 0 0 | + | 5 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 10 12 1 0 0 0 0 | + | 10 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 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 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 14 1 0 0 0 0 | + | 19 14 1 0 0 0 0 |
| − | 17 20 1 0 0 0 0 | + | 17 20 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 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 |
| − | 8 26 1 0 0 0 0 | + | 8 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CCANI0001 | + | ID FL1CCANI0001 |
| − | KNApSAcK_ID C00014475 | + | KNApSAcK_ID C00014475 |
| − | NAME Xanthogalenol;3'-Prenyl-4,2',6'-trihydroxy-4'-methoxychalcone | + | NAME Xanthogalenol;3'-Prenyl-4,2',6'-trihydroxy-4'-methoxychalcone |
| − | CAS_RN 265659-35-6 | + | CAS_RN 265659-35-6 |
| − | FORMULA C21H22O5 | + | FORMULA C21H22O5 |
| − | EXACTMASS 354.146723814 | + | EXACTMASS 354.146723814 |
| − | AVERAGEMASS 354.39638 | + | AVERAGEMASS 354.39638 |
| − | SMILES Oc(c2)ccc(c2)C=CC(=O)c(c1O)c(cc(c(CC=C(C)C)1)OC)O | + | SMILES Oc(c2)ccc(c2)C=CC(=O)c(c1O)c(cc(c(CC=C(C)C)1)OC)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 27 0 0 0 0 0 0 0 0999 V2000
-2.5005 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5005 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7860 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0716 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0716 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7860 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7860 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2150 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3571 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3571 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3571 2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3574 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0718 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7863 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7863 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5008 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2153 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2153 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5008 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9297 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7860 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0716 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0716 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7860 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3571 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9297 0.4127 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
6 7 1 0 0 0 0
2 8 1 0 0 0 0
4 9 1 0 0 0 0
5 10 1 0 0 0 0
10 11 2 0 0 0 0
10 12 1 0 0 0 0
12 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 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
17 20 1 0 0 0 0
3 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
8 26 1 0 0 0 0
S SKP 8
ID FL1CCANI0001
KNApSAcK_ID C00014475
NAME Xanthogalenol;3'-Prenyl-4,2',6'-trihydroxy-4'-methoxychalcone
CAS_RN 265659-35-6
FORMULA C21H22O5
EXACTMASS 354.146723814
AVERAGEMASS 354.39638
SMILES Oc(c2)ccc(c2)C=CC(=O)c(c1O)c(cc(c(CC=C(C)C)1)OC)O
M END
