Mol:FL3FAANI0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1416 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1416 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1416 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1416 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8561 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8561 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5706 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5706 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5706 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5706 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8561 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8561 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4272 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4272 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7127 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7127 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7127 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7127 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4272 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4272 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0018 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0018 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7163 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7163 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4307 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4307 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4307 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4307 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7163 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7163 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0018 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0018 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4272 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4272 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1452 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1452 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2850 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2850 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8561 -1.8549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8561 -1.8549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1452 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1452 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8585 0.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8585 0.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5718 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5718 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2850 0.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2850 0.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5718 -0.6174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5718 -0.6174 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 |
| − | 18 14 1 0 0 0 0 | + | 18 14 1 0 0 0 0 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 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 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAANI0007 | + | ID FL3FAANI0007 |
| − | KNApSAcK_ID C00013407 | + | KNApSAcK_ID C00013407 |
| − | NAME Yinyanghuo D;5,7-Dihydroxy-2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-4H-1-benzopyran-4-one | + | NAME Yinyanghuo D;5,7-Dihydroxy-2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-4H-1-benzopyran-4-one |
| − | CAS_RN 174286-25-0 | + | CAS_RN 174286-25-0 |
| − | FORMULA C20H18O5 | + | FORMULA C20H18O5 |
| − | EXACTMASS 338.115423686 | + | EXACTMASS 338.115423686 |
| − | AVERAGEMASS 338.35392 | + | AVERAGEMASS 338.35392 |
| − | SMILES c(c1)(C(=C2)Oc(c3)c(c(cc(O)3)O)C(=O)2)cc(c(O)c1)CC=C(C)C | + | SMILES c(c1)(C(=C2)Oc(c3)c(c(cc(O)3)O)C(=O)2)cc(c(O)c1)CC=C(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
-2.1416 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1416 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8561 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5706 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5706 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8561 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4272 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7127 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7127 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4272 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0018 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7163 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4307 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4307 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7163 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0018 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4272 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1452 1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2850 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8561 -1.8549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1452 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8585 0.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5718 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2850 0.6181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5718 -0.6174 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
18 14 1 0 0 0 0
4 19 1 0 0 0 0
6 20 1 0 0 0 0
13 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
S SKP 8
ID FL3FAANI0007
KNApSAcK_ID C00013407
NAME Yinyanghuo D;5,7-Dihydroxy-2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-4H-1-benzopyran-4-one
CAS_RN 174286-25-0
FORMULA C20H18O5
EXACTMASS 338.115423686
AVERAGEMASS 338.35392
SMILES c(c1)(C(=C2)Oc(c3)c(c(cc(O)3)O)C(=O)2)cc(c(O)c1)CC=C(C)C
M END
