Mol:FLIE1ANI0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.0677 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0677 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0677 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0677 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4886 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4886 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0449 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0449 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0449 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0449 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4886 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4886 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6012 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6012 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1575 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1575 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6012 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6012 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7136 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7136 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7136 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7136 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3084 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3084 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9032 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9032 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9032 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9032 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3084 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3084 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6029 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6029 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1575 0.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1575 0.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7137 1.1570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7137 1.1570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4974 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4974 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.1787 0.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1787 0.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.2885 0.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2885 0.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -3.9461 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9461 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4974 0.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4974 0.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6238 1.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6238 1.1573 0.0000 O 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 9 5 1 0 0 0 0 | + | 9 5 1 0 0 0 0 |
| − | 8 10 1 0 0 0 0 | + | 8 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 1 0 0 0 0 | + | 7 16 1 0 0 0 0 |
| − | 11 16 1 0 0 0 0 | + | 11 16 1 0 0 0 0 |
| − | 8 17 1 0 0 0 0 | + | 8 17 1 0 0 0 0 |
| − | 17 9 1 0 0 0 0 | + | 17 9 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 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 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 1 30 1 0 0 0 0 | + | 1 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIE1ANI0005 | + | ID FLIE1ANI0005 |
| − | KNApSAcK_ID C00010061 | + | KNApSAcK_ID C00010061 |
| − | NAME Puerarol;3,9-Dihydroxy-2-geranylcoumestan | + | NAME Puerarol;3,9-Dihydroxy-2-geranylcoumestan |
| − | CAS_RN 155645-56-0 | + | CAS_RN 155645-56-0 |
| − | FORMULA C25H24O5 | + | FORMULA C25H24O5 |
| − | EXACTMASS 404.162373878 | + | EXACTMASS 404.162373878 |
| − | AVERAGEMASS 404.45506 | + | AVERAGEMASS 404.45506 |
| − | SMILES c(o4)(c2c(c43)ccc(O)c3)c(c(OC(=O)2)1)cc(c(c1)O)CC=C(C)CCC=C(C)C | + | SMILES c(o4)(c2c(c43)ccc(O)c3)c(c(OC(=O)2)1)cc(c(c1)O)CC=C(C)CCC=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/
30 33 0 0 0 0 0 0 0 0999 V2000
-0.0677 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0677 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4886 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0449 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0449 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4886 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6012 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1575 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6012 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7136 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7136 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3084 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9032 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9032 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3084 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6029 -0.8138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1575 0.8360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7137 1.1570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4974 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6238 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1787 0.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7336 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7336 -0.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2885 0.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8422 -0.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3947 0.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9461 -0.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9461 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4974 0.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6238 1.1573 0.0000 O 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 2 0 0 0 0
9 5 1 0 0 0 0
8 10 1 0 0 0 0
10 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 10 1 0 0 0 0
7 16 1 0 0 0 0
11 16 1 0 0 0 0
8 17 1 0 0 0 0
17 9 1 0 0 0 0
17 18 2 0 0 0 0
13 19 1 0 0 0 0
2 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
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
1 30 1 0 0 0 0
S SKP 8
ID FLIE1ANI0005
KNApSAcK_ID C00010061
NAME Puerarol;3,9-Dihydroxy-2-geranylcoumestan
CAS_RN 155645-56-0
FORMULA C25H24O5
EXACTMASS 404.162373878
AVERAGEMASS 404.45506
SMILES c(o4)(c2c(c43)ccc(O)c3)c(c(OC(=O)2)1)cc(c(c1)O)CC=C(C)CCC=C(C)C
M END
