Mol:FL3F1ANI0002
From Metabolomics.JP
(Difference between revisions)
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| − | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5286 0.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5286 0.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5286 -0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5286 -0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9723 -0.7956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9723 -0.7956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4160 -0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4160 -0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4160 0.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4160 0.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9723 0.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9723 0.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8597 -0.7956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8597 -0.7956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3034 -0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3034 -0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3034 0.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3034 0.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8597 0.4891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8597 0.4891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8597 -1.2964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8597 -1.2964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2527 0.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2527 0.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8197 0.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8197 0.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3866 0.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3866 0.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3866 1.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3866 1.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8197 1.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8197 1.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2527 1.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2527 1.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0847 0.4890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0847 0.4890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9535 1.4710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9535 1.4710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9535 0.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9535 0.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9535 -0.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9535 -0.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5191 -0.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5191 -0.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5191 -1.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5191 -1.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0847 -0.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0847 -0.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3F1ANI0002 | + | ID FL3F1ANI0002 |
| − | KNApSAcK_ID C00004091 | + | KNApSAcK_ID C00004091 |
| − | NAME Kanzonol D;7-Hydroxy-2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-4H-1-benzopyran-4-one | + | NAME Kanzonol D;7-Hydroxy-2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-4H-1-benzopyran-4-one |
| − | CAS_RN 155233-20-8 | + | CAS_RN 155233-20-8 |
| − | FORMULA C20H18O4 | + | FORMULA C20H18O4 |
| − | EXACTMASS 322.120509064 | + | EXACTMASS 322.120509064 |
| − | AVERAGEMASS 322.35452 | + | AVERAGEMASS 322.35452 |
| − | SMILES c(O)(c3)ccc(c32)C(=O)C=C(O2)c(c1)cc(c(O)c1)CC=C(C)C | + | SMILES c(O)(c3)ccc(c32)C(=O)C=C(O2)c(c1)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/
24 26 0 0 0 0 0 0 0 0999 V2000
-2.5286 0.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5286 -0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9723 -0.7956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4160 -0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4160 0.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9723 0.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8597 -0.7956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3034 -0.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3034 0.1680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8597 0.4891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8597 -1.2964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2527 0.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8197 0.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3866 0.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3866 1.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8197 1.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2527 1.1437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0847 0.4890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9535 1.4710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9535 0.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9535 -0.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5191 -0.8179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5191 -1.4710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0847 -0.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 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
7 11 2 0 0 0 0
9 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
1 18 1 0 0 0 0
15 19 1 0 0 0 0
14 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
S SKP 8
ID FL3F1ANI0002
KNApSAcK_ID C00004091
NAME Kanzonol D;7-Hydroxy-2-[4-hydroxy-3-(3-methyl-2-butenyl)phenyl]-4H-1-benzopyran-4-one
CAS_RN 155233-20-8
FORMULA C20H18O4
EXACTMASS 322.120509064
AVERAGEMASS 322.35452
SMILES c(O)(c3)ccc(c32)C(=O)C=C(O2)c(c1)cc(c(O)c1)CC=C(C)C
M END
