Mol:FLIAALNI0012
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 |
| − | -1.6431 1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6431 1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6431 0.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6431 0.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0868 0.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0868 0.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5305 0.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5305 0.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5305 1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5305 1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0868 1.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0868 1.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0258 0.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0258 0.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5821 0.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5821 0.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5821 1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5821 1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0258 1.5047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0258 1.5047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1382 0.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1382 0.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1382 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1382 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7330 -0.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7330 -0.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3278 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3278 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3278 0.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3278 0.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7330 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7330 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0258 -0.4221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0258 -0.4221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1992 1.5046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1992 1.5046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1993 0.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1993 0.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1993 -0.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1993 -0.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7398 -0.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7398 -0.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7398 -1.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7398 -1.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2792 -0.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2792 -0.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0868 -0.4221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0868 -0.4221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7330 1.2496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7330 1.2496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1938 -0.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1938 -0.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0599 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0599 -1.4667 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 |
| − | 2 19 1 0 0 0 0 | + | 2 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 |
| − | 3 24 1 0 0 0 0 | + | 3 24 1 0 0 0 0 |
| − | 16 25 1 0 0 0 0 | + | 16 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 2.5648 -0.6729 | + | M SVB 1 28 2.5648 -0.6729 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAALNI0012 | + | ID FLIAALNI0012 |
| − | KNApSAcK_ID C00009889 | + | KNApSAcK_ID C00009889 |
| − | NAME Gancaonin N;5,7,2'-Trihydroxy-4'-methoxy-6-prenylisoflavone | + | NAME Gancaonin N;5,7,2'-Trihydroxy-4'-methoxy-6-prenylisoflavone |
| − | CAS_RN 129145-52-4 | + | CAS_RN 129145-52-4 |
| − | FORMULA C21H20O6 | + | FORMULA C21H20O6 |
| − | EXACTMASS 368.125988372 | + | EXACTMASS 368.125988372 |
| − | AVERAGEMASS 368.37989999999996 | + | AVERAGEMASS 368.37989999999996 |
| − | SMILES C(c(c(O)1)c(O)cc(O2)c1C(C(c(c3)c(cc(OC)c3)O)=C2)=O)C=C(C)C | + | SMILES C(c(c(O)1)c(O)cc(O2)c1C(C(c(c3)c(cc(OC)c3)O)=C2)=O)C=C(C)C |
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
-1.6431 1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6431 0.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0868 0.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5305 0.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5305 1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0868 1.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0258 0.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5821 0.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5821 1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0258 1.5047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1382 0.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1382 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7330 -0.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3278 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3278 0.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7330 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0258 -0.4221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1992 1.5046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1993 0.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1993 -0.5698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7398 -0.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7398 -1.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2792 -0.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0868 -0.4221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7330 1.2496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1938 -0.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0599 -1.4667 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
2 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
3 24 1 0 0 0 0
16 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 2.5648 -0.6729
S SKP 8
ID FLIAALNI0012
KNApSAcK_ID C00009889
NAME Gancaonin N;5,7,2'-Trihydroxy-4'-methoxy-6-prenylisoflavone
CAS_RN 129145-52-4
FORMULA C21H20O6
EXACTMASS 368.125988372
AVERAGEMASS 368.37989999999996
SMILES C(c(c(O)1)c(O)cc(O2)c1C(C(c(c3)c(cc(OC)c3)O)=C2)=O)C=C(C)C
M END
