Mol:FLIAALNI0011
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.8761 1.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8761 1.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8761 0.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8761 0.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3198 0.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3198 0.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7635 0.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7635 0.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7635 1.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7635 1.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3198 1.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3198 1.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2072 0.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2072 0.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6509 0.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6509 0.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6509 1.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6509 1.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2072 1.6720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2072 1.6720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0948 0.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0948 0.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0948 -0.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0948 -0.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5000 -0.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5000 -0.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0947 -0.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0947 -0.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0947 0.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0947 0.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5000 0.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5000 0.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2072 -0.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2072 -0.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4322 1.6719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4322 1.6719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3198 -0.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3198 -0.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6889 -0.6425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6889 -0.6425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5000 -1.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5000 -1.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6889 0.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6889 0.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2712 0.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2712 0.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8523 0.7298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8523 0.7298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4322 0.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4322 0.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8523 1.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8523 1.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5000 1.4169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5000 1.4169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0942 -1.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0942 -1.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0942 -1.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0942 -1.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0942 -0.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0942 -0.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6712 -1.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6712 -1.3190 0.0000 C 0 0 0 0 0 0 0 0 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 16 27 1 0 0 0 0 | + | 16 27 1 0 0 0 0 |
| − | 21 28 1 0 0 0 0 | + | 21 28 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 21 30 1 0 0 0 0 | + | 21 30 1 0 0 0 0 |
| − | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAALNI0011 | + | ID FLIAALNI0011 |
| − | KNApSAcK_ID C00009883 | + | KNApSAcK_ID C00009883 |
| − | NAME Fremontone;5,7,2',4'-Tetrahydroxy-3'-prenyl-5'-(1''',1'''-dimethylallyl)isoflavone | + | NAME Fremontone;5,7,2',4'-Tetrahydroxy-3'-prenyl-5'-(1''',1'''-dimethylallyl)isoflavone |
| − | CAS_RN 124166-28-5 | + | CAS_RN 124166-28-5 |
| − | FORMULA C25H26O6 | + | FORMULA C25H26O6 |
| − | EXACTMASS 422.172938564 | + | EXACTMASS 422.172938564 |
| − | AVERAGEMASS 422.47033999999996 | + | AVERAGEMASS 422.47033999999996 |
| − | SMILES c(c(O)3)c(O2)c(c(O)c3)C(C(=C2)c(c1)c(O)c(c(c1C(C)(C)C=C)O)CC=C(C)C)=O | + | SMILES c(c(O)3)c(O2)c(c(O)c3)C(C(=C2)c(c1)c(O)c(c(c1C(C)(C)C=C)O)CC=C(C)C)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-2.8761 1.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8761 0.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3198 0.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7635 0.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7635 1.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3198 1.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2072 0.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6509 0.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6509 1.3508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2072 1.6720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0948 0.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0948 -0.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5000 -0.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0947 -0.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0947 0.3874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5000 0.7308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2072 -0.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4322 1.6719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3198 -0.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6889 -0.6425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5000 -1.3289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6889 0.7305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2712 0.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8523 0.7298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4322 0.3950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8523 1.3994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5000 1.4169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0942 -1.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0942 -1.6720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0942 -0.9859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6712 -1.3190 0.0000 C 0 0 0 0 0 0 0 0 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
8 11 1 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 16 1 0 0 0 0
16 11 2 0 0 0 0
1 2 1 0 0 0 0
7 17 2 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
14 20 1 0 0 0 0
13 21 1 0 0 0 0
15 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
16 27 1 0 0 0 0
21 28 1 0 0 0 0
21 29 1 0 0 0 0
21 30 1 0 0 0 0
30 31 2 0 0 0 0
S SKP 8
ID FLIAALNI0011
KNApSAcK_ID C00009883
NAME Fremontone;5,7,2',4'-Tetrahydroxy-3'-prenyl-5'-(1''',1'''-dimethylallyl)isoflavone
CAS_RN 124166-28-5
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES c(c(O)3)c(O2)c(c(O)c3)C(C(=C2)c(c1)c(O)c(c(c1C(C)(C)C=C)O)CC=C(C)C)=O
M END
