Mol:FLIAEANI0001
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 |
| − | -2.7195 1.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7195 1.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7195 1.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7195 1.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1632 0.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1632 0.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6069 1.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6069 1.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6069 1.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6069 1.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1632 2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1632 2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0506 0.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0506 0.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4943 1.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4943 1.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4943 1.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4943 1.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0506 2.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0506 2.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0618 0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0618 0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0618 0.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0618 0.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6566 -0.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6566 -0.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2513 0.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2513 0.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2513 0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2513 0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6566 1.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6566 1.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0506 0.1398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0506 0.1398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1632 0.1398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1632 0.1398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2758 2.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2758 2.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8455 -0.2478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8455 -0.2478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4381 -0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4381 -0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4381 -1.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4381 -1.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9363 -1.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9363 -1.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9363 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9363 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4340 -1.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4340 -1.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4340 1.1945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4340 1.1945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7195 0.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7195 0.7820 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 2 26 1 0 0 0 0 | + | 2 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 SBV 1 28 -7.2043 6.4362 | + | M SBV 1 28 -7.2043 6.4362 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAEANI0001 | + | ID FLIAEANI0001 |
| − | KNApSAcK_ID C00009826 | + | KNApSAcK_ID C00009826 |
| − | NAME Isoaurmillone;5,7-Dihydroxy-6-methoxy-4'-prenyloxyisoflavone | + | NAME Isoaurmillone;5,7-Dihydroxy-6-methoxy-4'-prenyloxyisoflavone |
| − | CAS_RN 87457-87-2 | + | CAS_RN 87457-87-2 |
| − | FORMULA C21H20O6 | + | FORMULA C21H20O6 |
| − | EXACTMASS 368.125988372 | + | EXACTMASS 368.125988372 |
| − | AVERAGEMASS 368.37989999999996 | + | AVERAGEMASS 368.37989999999996 |
| − | SMILES COc(c(O)1)c(O)cc(O3)c1C(C(=C3)c(c2)ccc(OCC=C(C)C)c2)=O | + | SMILES COc(c(O)1)c(O)cc(O3)c1C(C(=C3)c(c2)ccc(OCC=C(C)C)c2)=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/
27 29 0 0 0 0 0 0 0 0999 V2000
-2.7195 1.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7195 1.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1632 0.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6069 1.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6069 1.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1632 2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0506 0.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4943 1.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4943 1.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0506 2.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0618 0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0618 0.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6566 -0.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2513 0.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2513 0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6566 1.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0506 0.1398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1632 0.1398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2758 2.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8455 -0.2478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4381 -0.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4381 -1.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9363 -1.4919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9363 -2.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4340 -1.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4340 1.1945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7195 0.7820 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
14 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
2 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 SBV 1 28 -7.2043 6.4362
S SKP 8
ID FLIAEANI0001
KNApSAcK_ID C00009826
NAME Isoaurmillone;5,7-Dihydroxy-6-methoxy-4'-prenyloxyisoflavone
CAS_RN 87457-87-2
FORMULA C21H20O6
EXACTMASS 368.125988372
AVERAGEMASS 368.37989999999996
SMILES COc(c(O)1)c(O)cc(O3)c1C(C(=C3)c(c2)ccc(OCC=C(C)C)c2)=O
M END
