Mol:FL2FGANS0004
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -2.4434 0.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4434 0.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4434 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4434 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7289 -0.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7289 -0.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0144 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0144 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0144 0.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0144 0.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7289 0.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7289 0.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3000 -0.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3000 -0.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4145 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4145 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4145 0.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4145 0.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3000 0.7507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3000 0.7507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1730 0.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1730 0.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8875 0.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8875 0.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6020 0.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6020 0.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6020 1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6020 1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8875 2.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8875 2.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1730 1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1730 1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3000 -1.6253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3000 -1.6253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7289 -1.6260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7289 -1.6260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1045 0.7199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1045 0.7199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7511 0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7511 0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2315 1.9646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2315 1.9646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4003 -2.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4003 -2.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0795 -0.8540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0795 -0.8540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6908 -0.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6908 -0.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7289 1.4775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7289 1.4775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3935 1.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3935 1.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7511 1.6646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7511 1.6646 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 |
| − | 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 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 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 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 18 22 1 0 0 0 0 | + | 18 22 1 0 0 0 0 |
| − | 2 23 1 0 0 0 0 | + | 2 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 6 25 1 0 0 0 0 | + | 6 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FGANS0004 | + | ID FL2FGANS0004 |
| − | KNApSAcK_ID C00014136 | + | KNApSAcK_ID C00014136 |
| − | NAME (2S)-5,6,7,8,4'-Pentamethoxyflavanone | + | NAME (2S)-5,6,7,8,4'-Pentamethoxyflavanone |
| − | CAS_RN 377090-32-9 | + | CAS_RN 377090-32-9 |
| − | FORMULA C20H22O7 | + | FORMULA C20H22O7 |
| − | EXACTMASS 374.136553058 | + | EXACTMASS 374.136553058 |
| − | AVERAGEMASS 374.38448000000005 | + | AVERAGEMASS 374.38448000000005 |
| − | SMILES O(C)c(c31)c(c(c(OC)c(C(=O)CC(O3)c(c2)ccc(OC)c2)1)OC)OC | + | SMILES O(C)c(c31)c(c(c(OC)c(C(=O)CC(O3)c(c2)ccc(OC)c2)1)OC)OC |
M END | M END | ||
| − | |||
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
-2.4434 0.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4434 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7289 -0.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0144 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0144 0.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7289 0.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3000 -0.8993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4145 -0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4145 0.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3000 0.7507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1730 0.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8875 0.3637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6020 0.7762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6020 1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8875 2.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1730 1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3000 -1.6253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7289 -1.6260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1045 0.7199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7511 0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2315 1.9646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4003 -2.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0795 -0.8540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6908 -0.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7289 1.4775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3935 1.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7511 1.6646 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
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
9 11 1 6 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
19 20 1 0 0 0 0
14 21 1 0 0 0 0
18 22 1 0 0 0 0
2 23 1 0 0 0 0
23 24 1 0 0 0 0
6 25 1 0 0 0 0
25 26 1 0 0 0 0
21 27 1 0 0 0 0
S SKP 8
ID FL2FGANS0004
KNApSAcK_ID C00014136
NAME (2S)-5,6,7,8,4'-Pentamethoxyflavanone
CAS_RN 377090-32-9
FORMULA C20H22O7
EXACTMASS 374.136553058
AVERAGEMASS 374.38448000000005
SMILES O(C)c(c31)c(c(c(OC)c(C(=O)CC(O3)c(c2)ccc(OC)c2)1)OC)OC
M END
