Mol:FLIAALNI0018
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 |
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| − | -2.8958 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8958 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.3395 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3395 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 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 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 7 18 2 0 0 0 0 | + | 7 18 2 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 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 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 |
| − | 1 27 1 0 0 0 0 | + | 1 27 1 0 0 0 0 |
| − | 21 28 2 0 0 0 0 | + | 21 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 16 31 1 0 0 0 0 | + | 16 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAALNI0018 | + | ID FLIAALNI0018 |
| − | KNApSAcK_ID C00009936 | + | KNApSAcK_ID C00009936 |
| − | NAME 2'-Hydroxyisolupalbigenin;5,7,2',4'-Tetrahydroxy-8,3'-diprenylisoflavone | + | NAME 2'-Hydroxyisolupalbigenin;5,7,2',4'-Tetrahydroxy-8,3'-diprenylisoflavone |
| − | CAS_RN 121747-94-2 | + | CAS_RN 121747-94-2 |
| − | FORMULA C25H26O6 | + | FORMULA C25H26O6 |
| − | EXACTMASS 422.172938564 | + | EXACTMASS 422.172938564 |
| − | AVERAGEMASS 422.47033999999996 | + | AVERAGEMASS 422.47033999999996 |
| − | SMILES c(c3CC=C(C)C)(ccc(c3O)C(=C2)C(c(c1O2)c(O)cc(O)c(CC=C(C)C)1)=O)O | + | SMILES c(c3CC=C(C)C)(ccc(c3O)C(=C2)C(c(c1O2)c(O)cc(O)c(CC=C(C)C)1)=O)O |
M END | M END | ||
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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
-2.8958 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8958 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3395 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7832 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7832 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3395 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2269 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6706 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6706 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2269 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1145 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1145 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4803 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0751 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0751 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4803 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3395 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2269 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6693 -0.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6693 -2.1203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2635 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3395 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8956 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8956 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3395 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4517 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4519 0.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8577 -0.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8577 -0.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4519 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4803 -0.0609 0.0000 O 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
3 17 1 0 0 0 0
7 18 2 0 0 0 0
15 19 1 0 0 0 0
14 20 1 0 0 0 0
19 21 1 0 0 0 0
6 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
1 27 1 0 0 0 0
21 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
16 31 1 0 0 0 0
S SKP 8
ID FLIAALNI0018
KNApSAcK_ID C00009936
NAME 2'-Hydroxyisolupalbigenin;5,7,2',4'-Tetrahydroxy-8,3'-diprenylisoflavone
CAS_RN 121747-94-2
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES c(c3CC=C(C)C)(ccc(c3O)C(=C2)C(c(c1O2)c(O)cc(O)c(CC=C(C)C)1)=O)O
M END
