Mol:PR100936
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | ISISHOST03240423072D 1 1.00000 0.00000 2732 | + | ISISHOST03240423072D 1 1.00000 0.00000 2732 |
| − | + | ||
| − | 13 14 0 0 0 999 V2000 | + | 13 14 0 0 0 999 V2000 |
| − | 0.0655 0.1621 0.0000 C 0 0 0 0 0 0 0 0 0 | + | 0.0655 0.1621 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | 0.0655 -0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 | + | 0.0655 -0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | -0.6552 0.5828 0.0000 C 0 0 0 0 0 0 0 0 0 | + | -0.6552 0.5828 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | 0.7897 0.5828 0.0000 O 0 0 0 0 0 0 0 0 0 | + | 0.7897 0.5828 0.0000 O 0 0 0 0 0 0 0 0 0 |
| − | -0.6552 -1.0759 0.0000 C 0 0 0 0 0 0 0 0 0 | + | -0.6552 -1.0759 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | 0.7862 -1.0931 0.0000 C 0 0 0 0 0 0 0 0 0 | + | 0.7862 -1.0931 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | -1.3655 0.1621 0.0000 C 0 0 0 0 0 0 0 0 0 | + | -1.3655 0.1621 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | -0.6586 1.4069 0.0000 O 0 0 0 0 0 0 0 0 0 | + | -0.6586 1.4069 0.0000 O 0 0 0 0 0 0 0 0 0 |
| − | 1.4310 0.1483 0.0000 C 0 0 0 0 0 0 0 0 0 | + | 1.4310 0.1483 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | -1.3655 -0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 | + | -1.3655 -0.6690 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | 1.4276 -0.6897 0.0000 C 0 0 0 0 0 0 0 0 0 | + | 1.4276 -0.6897 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | -2.0759 0.5759 0.0000 O 0 0 0 0 0 0 0 0 0 | + | -2.0759 0.5759 0.0000 O 0 0 0 0 0 0 0 0 0 |
| − | 2.2241 0.5793 0.0000 O 0 0 0 0 0 0 0 0 0 | + | 2.2241 0.5793 0.0000 O 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 | + | 1 2 2 0 0 0 |
| − | 1 3 1 0 0 0 | + | 1 3 1 0 0 0 |
| − | 1 4 1 0 0 0 | + | 1 4 1 0 0 0 |
| − | 2 5 1 0 0 0 | + | 2 5 1 0 0 0 |
| − | 2 6 1 0 0 0 | + | 2 6 1 0 0 0 |
| − | 3 7 2 0 0 0 | + | 3 7 2 0 0 0 |
| − | 3 8 1 0 0 0 | + | 3 8 1 0 0 0 |
| − | 4 9 1 0 0 0 | + | 4 9 1 0 0 0 |
| − | 5 10 2 0 0 0 | + | 5 10 2 0 0 0 |
| − | 6 11 2 0 0 0 | + | 6 11 2 0 0 0 |
| − | 7 12 1 0 0 0 | + | 7 12 1 0 0 0 |
| − | 9 13 2 0 0 0 | + | 9 13 2 0 0 0 |
| − | 7 10 1 0 0 0 | + | 7 10 1 0 0 0 |
| − | 9 11 1 0 0 0 | + | 9 11 1 0 0 0 |
| − | S SKP | + | S SKP 7 |
| − | CAS_RN 486-35-1 | + | CAS_RN 486-35-1 |
| − | NAME Daphnetin | + | NAME Daphnetin |
| + | ID PR100936 | ||
| + | FORMULA C9H6O4 | ||
| + | EXACTMASS 178.02660867999998 | ||
| + | AVERAGEMASS 178.14154 | ||
| + | SMILES O=C(C=2)Oc(c(O)1)c(C2)ccc(O)1 | ||
M END | M END | ||
Latest revision as of 10:34, 23 December 2009
ISISHOST03240423072D 1 1.00000 0.00000 2732
13 14 0 0 0 999 V2000
0.0655 0.1621 0.0000 C 0 0 0 0 0 0 0 0 0
0.0655 -0.6690 0.0000 C 0 0 0 0 0 0 0 0 0
-0.6552 0.5828 0.0000 C 0 0 0 0 0 0 0 0 0
0.7897 0.5828 0.0000 O 0 0 0 0 0 0 0 0 0
-0.6552 -1.0759 0.0000 C 0 0 0 0 0 0 0 0 0
0.7862 -1.0931 0.0000 C 0 0 0 0 0 0 0 0 0
-1.3655 0.1621 0.0000 C 0 0 0 0 0 0 0 0 0
-0.6586 1.4069 0.0000 O 0 0 0 0 0 0 0 0 0
1.4310 0.1483 0.0000 C 0 0 0 0 0 0 0 0 0
-1.3655 -0.6690 0.0000 C 0 0 0 0 0 0 0 0 0
1.4276 -0.6897 0.0000 C 0 0 0 0 0 0 0 0 0
-2.0759 0.5759 0.0000 O 0 0 0 0 0 0 0 0 0
2.2241 0.5793 0.0000 O 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0
1 3 1 0 0 0
1 4 1 0 0 0
2 5 1 0 0 0
2 6 1 0 0 0
3 7 2 0 0 0
3 8 1 0 0 0
4 9 1 0 0 0
5 10 2 0 0 0
6 11 2 0 0 0
7 12 1 0 0 0
9 13 2 0 0 0
7 10 1 0 0 0
9 11 1 0 0 0
S SKP 7
CAS_RN 486-35-1
NAME Daphnetin
ID PR100936
FORMULA C9H6O4
EXACTMASS 178.02660867999998
AVERAGEMASS 178.14154
SMILES O=C(C=2)Oc(c(O)1)c(C2)ccc(O)1
M END
