Mol:FL3FA9NM0006
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 23 0 0 0 0 0 0 0 0999 V2000 | + | 21 23 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.7145 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1434 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1434 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0000 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0000 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7145 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0000 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0000 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4289 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8579 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8579 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8579 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1434 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1434 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4289 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4289 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0000 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0000 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8579 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4289 1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4289 1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8579 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8579 -1.0313 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 |
| − | 1 7 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 10 2 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 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 |
| − | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FA9NM0006 | + | ID FL3FA9NM0006 |
| − | KNApSAcK_ID C00013384 | + | KNApSAcK_ID C00013384 |
| − | NAME Matteuorien;5,7-Dihydroxy-6,8-dimethyl-2-phenyl-4H-1-benzopyran-4-one | + | NAME Matteuorien;5,7-Dihydroxy-6,8-dimethyl-2-phenyl-4H-1-benzopyran-4-one |
| − | CAS_RN 171439-53-5 | + | CAS_RN 171439-53-5 |
| − | FORMULA C17H14O4 | + | FORMULA C17H14O4 |
| − | EXACTMASS 282.089208936 | + | EXACTMASS 282.089208936 |
| − | AVERAGEMASS 282.29066 | + | AVERAGEMASS 282.29066 |
| − | SMILES c(c3)ccc(c3)C(=C2)Oc(c(C)1)c(C(=O)2)c(O)c(C)c(O)1 | + | SMILES c(c3)ccc(c3)C(=C2)Oc(c(C)1)c(C(=O)2)c(O)c(C)c(O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-0.7145 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1434 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7145 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8579 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1434 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4289 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4289 1.4424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8579 -1.0313 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
1 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 2 1 0 0 0 0
9 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
4 18 1 0 0 0 0
6 19 1 0 0 0 0
3 20 1 0 0 0 0
5 21 1 0 0 0 0
S SKP 8
ID FL3FA9NM0006
KNApSAcK_ID C00013384
NAME Matteuorien;5,7-Dihydroxy-6,8-dimethyl-2-phenyl-4H-1-benzopyran-4-one
CAS_RN 171439-53-5
FORMULA C17H14O4
EXACTMASS 282.089208936
AVERAGEMASS 282.29066
SMILES c(c3)ccc(c3)C(=C2)Oc(c(C)1)c(C(=O)2)c(O)c(C)c(O)1
M END
