Mol:FL2F19NS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 19 21 0 0 0 0 0 0 0 0999 V2000 | + | 19 21 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7790 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7790 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7790 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7790 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2227 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2227 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6664 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6664 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6664 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6664 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2227 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2227 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1101 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1101 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4462 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4462 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4462 0.1021 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.4462 0.1021 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.1101 0.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1101 0.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0023 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0023 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5693 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5693 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1362 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1362 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1362 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1362 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5693 1.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5693 1.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0023 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0023 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1101 -1.4052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1101 -1.4052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1362 0.7209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1362 0.7209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6361 1.5870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6361 1.5870 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 |
| − | 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 |
| − | 18 19 1 0 0 0 0 | + | 18 19 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 18 19 | + | M SAL 1 2 18 19 |
| − | M SBL 1 1 20 | + | M SBL 1 1 20 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 20 -2.1362 0.7209 | + | M SVB 1 20 -2.1362 0.7209 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F19NS0002 | + | ID FL2F19NS0002 |
| − | KNApSAcK_ID C00008127 | + | KNApSAcK_ID C00008127 |
| − | NAME 7-Methoxyflavanone | + | NAME 7-Methoxyflavanone |
| − | CAS_RN 72984-48-6 | + | CAS_RN 72984-48-6 |
| − | FORMULA C16H14O3 | + | FORMULA C16H14O3 |
| − | EXACTMASS 254.094294314 | + | EXACTMASS 254.094294314 |
| − | AVERAGEMASS 254.28056 | + | AVERAGEMASS 254.28056 |
| − | SMILES COc(c3)cc(O1)c(c3)C(=O)CC1c(c2)cccc2 | + | SMILES COc(c3)cc(O1)c(c3)C(=O)CC1c(c2)cccc2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
19 21 0 0 0 0 0 0 0 0999 V2000
-1.7790 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7790 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6664 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6664 0.1021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2227 0.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1101 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4462 -0.5402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4462 0.1021 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.1101 0.4233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0023 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 0.0958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1362 0.4232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1362 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5693 1.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0023 1.0779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1101 -1.4052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1362 0.7209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6361 1.5870 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
7 17 2 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 -2.1362 0.7209
S SKP 8
ID FL2F19NS0002
KNApSAcK_ID C00008127
NAME 7-Methoxyflavanone
CAS_RN 72984-48-6
FORMULA C16H14O3
EXACTMASS 254.094294314
AVERAGEMASS 254.28056
SMILES COc(c3)cc(O1)c(c3)C(=O)CC1c(c2)cccc2
M END
