Mol:FL2FA9NS0009
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 24 0 0 0 0 0 0 0 0999 V2000 | + | 22 24 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4718 -0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4718 -0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4718 -1.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4718 -1.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7574 -1.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7574 -1.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0429 -1.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0429 -1.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0429 -0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0429 -0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7574 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7574 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3284 -1.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3284 -1.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3861 -1.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3861 -1.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3861 -0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3861 -0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3284 0.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3284 0.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1446 0.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1446 0.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8590 -0.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8590 -0.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5735 0.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5735 0.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5735 0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5735 0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8590 1.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8590 1.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1446 0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1446 0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3284 -2.3674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3284 -2.3674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7574 -2.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7574 -2.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1461 -0.0146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1461 -0.0146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1461 -0.2965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1461 -0.2965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8590 1.9886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8590 1.9886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5151 2.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5151 2.3674 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 |
| − | 13 20 1 0 0 0 0 | + | 13 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA9NS0009 | + | ID FL2FA9NS0009 |
| − | KNApSAcK_ID C00014117 | + | KNApSAcK_ID C00014117 |
| − | NAME Alysifolinone;5,7,3'-Trihydroxy-5'-methoxyflavanone | + | NAME Alysifolinone;5,7,3'-Trihydroxy-5'-methoxyflavanone |
| − | CAS_RN 183857-79-6 | + | CAS_RN 183857-79-6 |
| − | FORMULA C16H14O6 | + | FORMULA C16H14O6 |
| − | EXACTMASS 302.07903818 | + | EXACTMASS 302.07903818 |
| − | AVERAGEMASS 302.27876000000003 | + | AVERAGEMASS 302.27876000000003 |
| − | SMILES COc(c3)cc(cc(O)3)C(C1)Oc(c2)c(c(O)cc(O)2)C(=O)1 | + | SMILES COc(c3)cc(cc(O)3)C(C1)Oc(c2)c(c(O)cc(O)2)C(=O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 24 0 0 0 0 0 0 0 0999 V2000
-2.4718 -0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4718 -1.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7574 -1.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0429 -1.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0429 -0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7574 0.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3284 -1.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3861 -1.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3861 -0.4039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3284 0.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1446 0.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8590 -0.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5735 0.0341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5735 0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8590 1.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1446 0.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3284 -2.3674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7574 -2.3346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1461 -0.0146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1461 -0.2965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8590 1.9886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5151 2.3674 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
13 20 1 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
S SKP 8
ID FL2FA9NS0009
KNApSAcK_ID C00014117
NAME Alysifolinone;5,7,3'-Trihydroxy-5'-methoxyflavanone
CAS_RN 183857-79-6
FORMULA C16H14O6
EXACTMASS 302.07903818
AVERAGEMASS 302.27876000000003
SMILES COc(c3)cc(cc(O)3)C(C1)Oc(c2)c(c(O)cc(O)2)C(=O)1
M END
