Mol:FL3F1ANI0004
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 |
| − | -0.0375 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0375 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0375 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0375 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7519 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7519 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4664 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4664 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4664 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4664 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7519 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7519 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6770 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6770 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3915 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3915 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3915 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3915 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6770 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6770 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1060 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1060 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8204 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8204 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5349 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5349 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5349 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5349 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8204 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8204 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1060 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1060 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6770 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6770 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3195 1.6987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3195 1.6987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1809 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1809 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1809 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1809 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8941 -0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8941 -0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6074 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6074 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3195 -0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3195 -0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6074 -1.8535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6074 -1.8535 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 |
| − | 5 19 1 0 0 0 0 | + | 5 19 1 0 0 0 0 |
| − | 4 20 1 0 0 0 0 | + | 4 20 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 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 FL3F1ANI0004 | + | ID FL3F1ANI0004 |
| − | KNApSAcK_ID C00013403 | + | KNApSAcK_ID C00013403 |
| − | NAME Licoflavone A;7-Hydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one | + | NAME Licoflavone A;7-Hydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 61153-77-3 | + | CAS_RN 61153-77-3 |
| − | FORMULA C20H18O4 | + | FORMULA C20H18O4 |
| − | EXACTMASS 322.120509064 | + | EXACTMASS 322.120509064 |
| − | AVERAGEMASS 322.35452 | + | AVERAGEMASS 322.35452 |
| − | SMILES Oc(c1)ccc(C(=C3)Oc(c2C(=O)3)cc(O)c(c2)CC=C(C)C)c1 | + | SMILES Oc(c1)ccc(C(=C3)Oc(c2C(=O)3)cc(O)c(c2)CC=C(C)C)c1 |
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
-0.0375 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0375 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7519 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4664 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4664 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7519 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6770 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3915 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3915 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6770 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1060 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8204 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5349 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5349 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8204 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1060 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6770 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3195 1.6987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1809 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1809 0.6187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8941 -0.6194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6074 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3195 -0.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6074 -1.8535 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
5 19 1 0 0 0 0
4 20 1 0 0 0 0
19 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 FL3F1ANI0004
KNApSAcK_ID C00013403
NAME Licoflavone A;7-Hydroxy-2-(4-hydroxyphenyl)-6-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
CAS_RN 61153-77-3
FORMULA C20H18O4
EXACTMASS 322.120509064
AVERAGEMASS 322.35452
SMILES Oc(c1)ccc(C(=C3)Oc(c2C(=O)3)cc(O)c(c2)CC=C(C)C)c1
M END
