Mol:FLIA1CNS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 24 0 0 0 0 0 0 0 0999 V2000 | + | 21 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6237 0.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6237 0.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6237 0.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6237 0.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1579 0.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1579 0.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6921 0.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6921 0.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6921 0.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6921 0.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1579 1.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1579 1.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2263 0.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2263 0.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2394 0.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2394 0.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2394 0.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2394 0.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2263 1.2093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2263 1.2093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7052 0.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7052 0.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1710 0.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1710 0.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7052 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7052 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1710 -0.6731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1710 -0.6731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6368 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6368 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6368 0.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6368 0.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0365 1.2554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0365 1.2554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2262 -0.8663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2262 -0.8663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2828 -1.1992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2828 -1.1992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8177 -1.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8177 -1.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0365 -0.7640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0365 -0.7640 0.0000 O 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 |
| − | 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 |
| − | 11 13 1 0 0 0 0 | + | 11 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 12 1 0 0 0 0 | + | 16 12 1 0 0 0 0 |
| − | 17 1 1 0 0 0 0 | + | 17 1 1 0 0 0 0 |
| − | 7 18 2 0 0 0 0 | + | 7 18 2 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 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 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIA1CNS0001 | + | ID FLIA1CNS0001 |
| − | KNApSAcK_ID C00002565 | + | KNApSAcK_ID C00002565 |
| − | NAME Pseudobaptigenin | + | NAME Pseudobaptigenin |
| − | CAS_RN 90-29-9 | + | CAS_RN 90-29-9 |
| − | FORMULA C16H10O5 | + | FORMULA C16H10O5 |
| − | EXACTMASS 282.05282343 | + | EXACTMASS 282.05282343 |
| − | AVERAGEMASS 282.2476 | + | AVERAGEMASS 282.2476 |
| − | SMILES Oc(c4)cc(O3)c(c4)C(=O)C(=C3)c(c1)cc(O2)c(OC2)c1 | + | SMILES Oc(c4)cc(O3)c(c4)C(=O)C(=C3)c(c1)cc(O2)c(OC2)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 24 0 0 0 0 0 0 0 0999 V2000
-1.6237 0.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6237 0.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1579 0.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6921 0.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6921 0.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1579 1.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2263 0.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2394 0.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2394 0.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2263 1.2093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7052 0.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1710 0.4026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7052 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1710 -0.6731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6368 -0.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6368 0.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0365 1.2554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2262 -0.8663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2828 -1.1992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8177 -1.2554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0365 -0.7640 0.0000 O 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
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
11 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 12 1 0 0 0 0
17 1 1 0 0 0 0
7 18 2 0 0 0 0
14 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 15 1 0 0 0 0
S SKP 8
ID FLIA1CNS0001
KNApSAcK_ID C00002565
NAME Pseudobaptigenin
CAS_RN 90-29-9
FORMULA C16H10O5
EXACTMASS 282.05282343
AVERAGEMASS 282.2476
SMILES Oc(c4)cc(O3)c(c4)C(=O)C(=C3)c(c1)cc(O2)c(OC2)c1
M END
