Mol:FL4DADNI0001
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 |
| − | -1.8794 -0.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8794 -0.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3585 -1.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3585 -1.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8376 -0.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8376 -0.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8376 -0.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8376 -0.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3585 0.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3585 0.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8794 -0.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8794 -0.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3167 -1.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3167 -1.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2041 -0.8247 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.2041 -0.8247 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 0.2041 -0.2233 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.2041 -0.2233 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -0.3167 0.0775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3167 0.0775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3167 -1.6494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3167 -1.6494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3585 -1.7263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3585 -1.7263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7882 0.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7882 0.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3101 -0.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3101 -0.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8320 0.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8320 0.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8320 0.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8320 0.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3101 1.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3101 1.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7882 0.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7882 0.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8320 0.7166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8320 0.7166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7402 -1.3608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7402 -1.3608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3540 0.0507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3540 0.0507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3585 0.5886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3585 0.5886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8505 0.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8505 0.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8505 1.4614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8505 1.4614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2381 1.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2381 1.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3915 1.7263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3915 1.7263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5711 1.5811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5711 1.5811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9916 2.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9916 2.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 2 12 1 0 0 0 0 | + | 2 12 1 0 0 0 0 |
| − | 9 13 1 6 0 0 0 | + | 9 13 1 6 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 8 20 1 1 0 0 0 | + | 8 20 1 1 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 5 22 1 0 0 0 0 | + | 5 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 |
| − | 17 27 1 0 0 0 0 | + | 17 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 SVB 1 29 1.5711 1.5811 | + | M SVB 1 29 1.5711 1.5811 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DADNI0001 | + | ID FL4DADNI0001 |
| − | KNApSAcK_ID C00008640 | + | KNApSAcK_ID C00008640 |
| − | NAME 3,5,7,4'-Tetrahydroxy-3'-methoxy-8-prenylflavanone | + | NAME 3,5,7,4'-Tetrahydroxy-3'-methoxy-8-prenylflavanone |
| − | CAS_RN 104696-10-8 | + | CAS_RN 104696-10-8 |
| − | FORMULA C21H22O7 | + | FORMULA C21H22O7 |
| − | EXACTMASS 386.136553058 | + | EXACTMASS 386.136553058 |
| − | AVERAGEMASS 386.39518 | + | AVERAGEMASS 386.39518 |
| − | SMILES c(c12)(cc(O)c(c1O[C@H](c(c3)cc(c(O)c3)OC)[C@H](C2=O)O)CC=C(C)C)O | + | SMILES c(c12)(cc(O)c(c1O[C@H](c(c3)cc(c(O)c3)OC)[C@H](C2=O)O)CC=C(C)C)O |
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
-1.8794 -0.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3585 -1.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8376 -0.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8376 -0.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3585 0.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8794 -0.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3167 -1.1255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2041 -0.8247 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.2041 -0.2233 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.3167 0.0775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3167 -1.6494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3585 -1.7263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7882 0.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3101 -0.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8320 0.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8320 0.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3101 1.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7882 0.7166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8320 0.7166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7402 -1.3608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3540 0.0507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3585 0.5886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8505 0.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8505 1.4614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2381 1.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3915 1.7263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5711 1.5811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9916 2.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 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 4 1 0 0 0 0
7 11 2 0 0 0 0
2 12 1 0 0 0 0
9 13 1 6 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
16 19 1 0 0 0 0
8 20 1 1 0 0 0
6 21 1 0 0 0 0
5 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
17 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 SVB 1 29 1.5711 1.5811
S SKP 8
ID FL4DADNI0001
KNApSAcK_ID C00008640
NAME 3,5,7,4'-Tetrahydroxy-3'-methoxy-8-prenylflavanone
CAS_RN 104696-10-8
FORMULA C21H22O7
EXACTMASS 386.136553058
AVERAGEMASS 386.39518
SMILES c(c12)(cc(O)c(c1O[C@H](c(c3)cc(c(O)c3)OC)[C@H](C2=O)O)CC=C(C)C)O
M END
