Mol:FL2F39NS0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 20 22 0 0 0 0 0 0 0 0999 V2000 | + | 20 22 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6796 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6796 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6796 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6796 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1233 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1233 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5670 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5670 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5670 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5670 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1233 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1233 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0107 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0107 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5456 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5456 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5456 0.1021 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.5456 0.1021 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.0107 0.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0107 0.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1017 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1017 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6687 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6687 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2357 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2357 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2357 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2357 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6687 1.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6687 1.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1017 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1017 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2357 0.4232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2357 0.4232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0107 -1.4052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0107 -1.4052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8452 0.9963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8452 0.9963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4086 1.8959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4086 1.8959 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 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 0 0 0 0 | + | 9 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 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 7 18 2 0 0 0 0 | + | 7 18 2 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 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 19 20 | + | M SAL 1 2 19 20 |
| − | M SBL 1 1 21 | + | M SBL 1 1 21 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 21 -0.8452 0.9963 | + | M SVB 1 21 -0.8452 0.9963 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F39NS0001 | + | ID FL2F39NS0001 |
| − | KNApSAcK_ID C00008128 | + | KNApSAcK_ID C00008128 |
| − | NAME 7-Hydroxy-8-methoxyflavanone | + | NAME 7-Hydroxy-8-methoxyflavanone |
| − | CAS_RN 57361-85-0 | + | CAS_RN 57361-85-0 |
| − | FORMULA C16H14O4 | + | FORMULA C16H14O4 |
| − | EXACTMASS 270.089208936 | + | EXACTMASS 270.089208936 |
| − | AVERAGEMASS 270.27996 | + | AVERAGEMASS 270.27996 |
| − | SMILES COc(c(O)3)c(O1)c(cc3)C(=O)CC(c(c2)cccc2)1 | + | SMILES COc(c(O)3)c(O1)c(cc3)C(=O)CC(c(c2)cccc2)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
20 22 0 0 0 0 0 0 0 0999 V2000
-1.6796 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6796 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5670 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5670 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1233 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0107 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5456 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5456 0.1021 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0107 0.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1017 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2357 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2357 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6687 1.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1017 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2357 0.4232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0107 -1.4052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8452 0.9963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4086 1.8959 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 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
1 17 1 0 0 0 0
7 18 2 0 0 0 0
6 19 1 0 0 0 0
19 20 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 -0.8452 0.9963
S SKP 8
ID FL2F39NS0001
KNApSAcK_ID C00008128
NAME 7-Hydroxy-8-methoxyflavanone
CAS_RN 57361-85-0
FORMULA C16H14O4
EXACTMASS 270.089208936
AVERAGEMASS 270.27996
SMILES COc(c(O)3)c(O1)c(cc3)C(=O)CC(c(c2)cccc2)1
M END
