Mol:FLIAALNI0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 30 0 0 0 0 0 0 0 0999 V2000 | + | 28 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0045 0.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0045 0.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0045 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0045 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4482 -0.6842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 -0.6842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8919 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8919 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8919 0.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8919 0.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4482 0.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 0.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3356 -0.6842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3356 -0.6842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2207 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2207 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2207 0.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2207 0.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3356 0.6005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3356 0.6005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7768 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7768 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7768 -1.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7768 -1.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3716 -1.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3716 -1.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9664 -1.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9664 -1.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9664 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9664 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3716 -0.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3716 -0.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3356 -1.3263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3356 -1.3263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4482 -1.3263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4482 -1.3263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5606 0.6004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5606 0.6004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5606 -1.7139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5606 -1.7139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5606 -0.3410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5606 -0.3410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3716 0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3716 0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9646 0.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9646 0.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9646 1.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9646 1.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5564 1.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5564 1.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3728 1.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3728 1.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0623 -1.3014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0623 -1.3014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7768 -1.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7768 -1.7139 0.0000 C 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 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 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 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 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 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 |
| − | 12 27 1 0 0 0 0 | + | 12 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 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 27 28 | + | M SAL 1 2 27 28 |
| − | M SBL 1 1 29 | + | M SBL 1 1 29 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 29 -6.9636 4.4119 | + | M SBV 1 29 -6.9636 4.4119 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAALNI0005 | + | ID FLIAALNI0005 |
| − | KNApSAcK_ID C00009511 | + | KNApSAcK_ID C00009511 |
| − | NAME Piscidone;5,7,3',4'-Tetrahydroxy-6'-methoxy-2'-prenylisoflavone | + | NAME Piscidone;5,7,3',4'-Tetrahydroxy-6'-methoxy-2'-prenylisoflavone |
| − | CAS_RN 11025-91-5 | + | CAS_RN 11025-91-5 |
| − | FORMULA C21H20O7 | + | FORMULA C21H20O7 |
| − | EXACTMASS 384.120902994 | + | EXACTMASS 384.120902994 |
| − | AVERAGEMASS 384.37929999999994 | + | AVERAGEMASS 384.37929999999994 |
| − | SMILES c(O)(c1CC=C(C)C)c(O)cc(c1C(C(=O)2)=COc(c3)c2c(cc(O)3)O)OC | + | SMILES c(O)(c1CC=C(C)C)c(O)cc(c1C(C(=O)2)=COc(c3)c2c(cc(O)3)O)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 30 0 0 0 0 0 0 0 0999 V2000
-2.0045 0.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0045 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 -0.6842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8919 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8919 0.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 0.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 -0.6842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2207 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2207 0.2794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 0.6005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7768 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7768 -1.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 -1.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 -1.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9664 -0.6841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 -0.3407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3356 -1.3263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4482 -1.3263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5606 0.6004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5606 -1.7139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5606 -0.3410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3716 0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9646 0.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9646 1.3726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5564 1.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3728 1.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0623 -1.3014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7768 -1.7139 0.0000 C 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 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 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 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
15 21 1 0 0 0 0
16 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
12 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 29
M SMT 1 ^OCH3
M SBV 1 29 -6.9636 4.4119
S SKP 8
ID FLIAALNI0005
KNApSAcK_ID C00009511
NAME Piscidone;5,7,3',4'-Tetrahydroxy-6'-methoxy-2'-prenylisoflavone
CAS_RN 11025-91-5
FORMULA C21H20O7
EXACTMASS 384.120902994
AVERAGEMASS 384.37929999999994
SMILES c(O)(c1CC=C(C)C)c(O)cc(c1C(C(=O)2)=COc(c3)c2c(cc(O)3)O)OC
M END
