Mol:FL63BANI0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8645 -0.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8645 -0.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8645 -0.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8645 -0.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3260 -1.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3260 -1.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7875 -0.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7875 -0.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7875 -0.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7875 -0.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3260 -0.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3260 -0.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2489 -1.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2489 -1.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2896 -0.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2896 -0.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2896 -0.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2896 -0.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2489 -0.0265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2489 -0.0265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4027 -0.0266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4027 -0.0266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7691 -0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7691 -0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3138 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3138 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8586 -0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8586 -0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8586 0.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8586 0.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3138 0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3138 0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7691 0.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7691 0.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7115 -1.5091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7115 -1.5091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4027 0.8826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4027 0.8826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3260 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3260 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8642 0.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8642 0.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8642 1.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8642 1.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4025 1.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4025 1.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3260 1.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3260 1.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7713 -1.4255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7713 -1.4255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0569 -1.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0569 -1.8380 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 |
| − | 1 11 1 0 0 0 0 | + | 1 11 1 0 0 0 0 |
| − | 9 12 1 6 0 0 0 | + | 9 12 1 6 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 8 18 1 1 0 0 0 | + | 8 18 1 1 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 3 25 1 0 0 0 0 | + | 3 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 25 26 | + | M SAL 1 2 25 26 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 27 -7.0907 5.2410 | + | M SBV 1 27 -7.0907 5.2410 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL63BANI0001 | + | ID FL63BANI0001 |
| − | KNApSAcK_ID C00008907 | + | KNApSAcK_ID C00008907 |
| − | NAME 8-Prenylafzelechin 5-methyl ether | + | NAME 8-Prenylafzelechin 5-methyl ether |
| − | CAS_RN 108803-54-9 | + | CAS_RN 108803-54-9 |
| − | FORMULA C21H24O5 | + | FORMULA C21H24O5 |
| − | EXACTMASS 356.162373878 | + | EXACTMASS 356.162373878 |
| − | AVERAGEMASS 356.41226 | + | AVERAGEMASS 356.41226 |
| − | SMILES O(C(c(c3)ccc(O)c3)1)c(c(CC=C(C)C)2)c(c(cc(O)2)OC)CC1O | + | SMILES O(C(c(c3)ccc(O)c3)1)c(c(CC=C(C)C)2)c(c(cc(O)2)OC)CC1O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-1.8645 -0.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8645 -0.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3260 -1.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7875 -0.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7875 -0.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3260 -0.0265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2489 -1.2701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2896 -0.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2896 -0.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2489 -0.0265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4027 -0.0266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7691 -0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3138 -0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8586 -0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8586 0.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3138 0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7691 0.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7115 -1.5091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4027 0.8826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3260 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8642 0.9058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8642 1.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4025 1.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3260 1.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7713 -1.4255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0569 -1.8380 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
1 11 1 0 0 0 0
9 12 1 6 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 17 2 0 0 0 0
17 12 1 0 0 0 0
8 18 1 1 0 0 0
15 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
3 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 27
M SMT 1 OCH3
M SBV 1 27 -7.0907 5.2410
S SKP 8
ID FL63BANI0001
KNApSAcK_ID C00008907
NAME 8-Prenylafzelechin 5-methyl ether
CAS_RN 108803-54-9
FORMULA C21H24O5
EXACTMASS 356.162373878
AVERAGEMASS 356.41226
SMILES O(C(c(c3)ccc(O)c3)1)c(c(CC=C(C)C)2)c(c(cc(O)2)OC)CC1O
M END
