Mol:FLIBALNI0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1808 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1808 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1808 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1808 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6245 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6245 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0682 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0682 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0682 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0682 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6245 0.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6245 0.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5119 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5119 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0444 -0.6317 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.0444 -0.6317 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.0444 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0444 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5119 0.3319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5119 0.3319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6005 -0.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6005 -0.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6005 -1.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6005 -1.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1953 -1.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1953 -1.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7901 -1.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7901 -1.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7901 -0.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7901 -0.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1953 -0.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1953 -0.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5119 -1.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5119 -1.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7369 0.3318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7369 0.3318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6245 0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6245 0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1806 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1806 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1806 1.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1806 1.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6245 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6245 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7367 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7367 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1953 0.0768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1953 0.0768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6245 -1.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6245 -1.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6561 -2.1395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6561 -2.1395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5222 -2.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5222 -2.6395 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 1 0 0 0 0 | + | 8 9 1 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 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 16 24 1 0 0 0 0 | + | 16 24 1 0 0 0 0 |
| − | 3 25 1 0 0 0 0 | + | 3 25 1 0 0 0 0 |
| − | 14 26 1 0 0 0 0 | + | 14 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 26 27 | + | M SAL 1 2 26 27 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 28 2.0224 -1.8458 | + | M SVB 1 28 2.0224 -1.8458 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIBALNI0008 | + | ID FLIBALNI0008 |
| − | KNApSAcK_ID C00009959 | + | KNApSAcK_ID C00009959 |
| − | NAME 4'-O-Methylkievitone;5,7,2'-Trihydroxy-4'-methoxy-8-prenylisoflavanone | + | NAME 4'-O-Methylkievitone;5,7,2'-Trihydroxy-4'-methoxy-8-prenylisoflavanone |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C21H22O6 | + | FORMULA C21H22O6 |
| − | EXACTMASS 370.141638436 | + | EXACTMASS 370.141638436 |
| − | AVERAGEMASS 370.39578 | + | AVERAGEMASS 370.39578 |
| − | SMILES c(c3O)(C1=O)c(c(CC=C(C)C)c(O)c3)OCC(c(c2)c(cc(OC)c2)O)1 | + | SMILES c(c3O)(C1=O)c(c(CC=C(C)C)c(O)c3)OCC(c(c2)c(cc(OC)c2)O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-2.1808 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1808 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6245 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0682 -0.6317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0682 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6245 0.3319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5119 -0.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0444 -0.6317 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.0444 0.0107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5119 0.3319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6005 -0.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6005 -1.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1953 -1.9829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7901 -1.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7901 -0.9527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1953 -0.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5119 -1.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7369 0.3318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6245 0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1806 1.2951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1806 1.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6245 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7367 2.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1953 0.0768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6245 -1.5279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6561 -2.1395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5222 -2.6395 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 1 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
6 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
16 24 1 0 0 0 0
3 25 1 0 0 0 0
14 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 2.0224 -1.8458
S SKP 8
ID FLIBALNI0008
KNApSAcK_ID C00009959
NAME 4'-O-Methylkievitone;5,7,2'-Trihydroxy-4'-methoxy-8-prenylisoflavanone
CAS_RN -
FORMULA C21H22O6
EXACTMASS 370.141638436
AVERAGEMASS 370.39578
SMILES c(c3O)(C1=O)c(c(CC=C(C)C)c(O)c3)OCC(c(c2)c(cc(OC)c2)O)1
M END
