Mol:FL1AACNM0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 24 0 0 0 0 0 0 0 0999 V2000 | + | 22 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0947 -0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0947 -0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0947 -1.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0947 -1.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3802 -2.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3802 -2.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3802 -0.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3802 -0.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6657 -1.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6657 -1.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6657 -0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6657 -0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0485 -0.4108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0485 -0.4108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7644 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7644 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7642 -1.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7642 -1.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3475 -2.2331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3475 -2.2331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4788 -0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4788 -0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4788 0.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4788 0.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1935 0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1935 0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1935 1.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1935 1.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4790 2.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4790 2.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7645 1.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7645 1.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7645 0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7645 0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3802 -2.8873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3802 -2.8873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8091 -0.4123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8091 -0.4123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4790 2.8873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4790 2.8873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8091 2.0052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8091 2.0052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3802 0.3469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3802 0.3469 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 5 2 0 0 0 0 | + | 3 5 2 0 0 0 0 |
| − | 6 4 2 0 0 0 0 | + | 6 4 2 0 0 0 0 |
| − | 4 1 1 0 0 0 0 | + | 4 1 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 5 9 1 0 0 0 0 | + | 5 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 8 11 2 0 0 0 0 | + | 8 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 4 22 1 0 0 0 0 | + | 4 22 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1AACNM0002 | + | ID FL1AACNM0002 |
| − | KNApSAcK_ID C00014654 | + | KNApSAcK_ID C00014654 |
| − | NAME 4,6,3',4'-Tetrahydroxy-7-methylaurone | + | NAME 4,6,3',4'-Tetrahydroxy-7-methylaurone |
| − | CAS_RN 213979-97-6 | + | CAS_RN 213979-97-6 |
| − | FORMULA C16H12O6 | + | FORMULA C16H12O6 |
| − | EXACTMASS 300.063388116 | + | EXACTMASS 300.063388116 |
| − | AVERAGEMASS 300.26288 | + | AVERAGEMASS 300.26288 |
| − | SMILES Oc(c3)c(O)cc(c3)C=c(o1)c(=O)c(c(O)2)c1c(C)c(O)c2 | + | SMILES Oc(c3)c(O)cc(c3)C=c(o1)c(=O)c(c(O)2)c1c(C)c(O)c2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-2.0947 -0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0947 -1.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3802 -2.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3802 -0.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6657 -1.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6657 -0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0485 -0.4108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7644 -0.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7642 -1.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3475 -2.2331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4788 -0.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4788 0.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1935 0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1935 1.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4790 2.0623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7645 1.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7645 0.8248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3802 -2.8873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8091 -0.4123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4790 2.8873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8091 2.0052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3802 0.3469 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 5 2 0 0 0 0
6 4 2 0 0 0 0
4 1 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
5 9 1 0 0 0 0
9 10 2 0 0 0 0
8 11 2 0 0 0 0
11 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 12 1 0 0 0 0
3 18 1 0 0 0 0
1 19 1 0 0 0 0
15 20 1 0 0 0 0
14 21 1 0 0 0 0
4 22 1 0 0 0 0
S SKP 8
ID FL1AACNM0002
KNApSAcK_ID C00014654
NAME 4,6,3',4'-Tetrahydroxy-7-methylaurone
CAS_RN 213979-97-6
FORMULA C16H12O6
EXACTMASS 300.063388116
AVERAGEMASS 300.26288
SMILES Oc(c3)c(O)cc(c3)C=c(o1)c(=O)c(c(O)2)c1c(C)c(O)c2
M END
