Mol:FL4DA9NS0011
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8423 0.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8423 0.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1296 0.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1296 0.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8391 -0.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8391 -0.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1223 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1223 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4097 -0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4097 -0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4133 0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4133 0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3066 -0.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3066 -0.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0192 -0.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0192 -0.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0156 0.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0156 0.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2993 0.7949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2993 0.7949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6694 0.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6694 0.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3854 0.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3854 0.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0983 0.7719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0983 0.7719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0951 1.5969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0951 1.5969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3790 2.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3790 2.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6662 1.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6662 1.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3077 -1.4983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3077 -1.4983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1223 -1.5696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1223 -1.5696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4601 0.7296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4601 0.7296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6215 -0.7872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6215 -0.7872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8794 -2.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8794 -2.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0983 0.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0983 0.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0156 1.0576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0156 1.0576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5948 -0.1071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5948 -0.1071 0.0000 H 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 |
| − | 1 3 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 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 6 1 0 0 0 0 | + | 10 6 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 |
| − | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 8 20 1 6 0 0 0 | + | 8 20 1 6 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 9 23 1 1 0 0 0 | + | 9 23 1 1 0 0 0 |
| − | 8 24 1 1 0 0 0 | + | 8 24 1 1 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DA9NS0011 | + | ID FL4DA9NS0011 |
| − | KNApSAcK_ID C00014363 | + | KNApSAcK_ID C00014363 |
| − | NAME (2R,3S)-3-Hydroxy-5,7-dimethoxyflavanone;cis-3-Hydroxy-5,7-dimethoxyflavanone | + | NAME (2R,3S)-3-Hydroxy-5,7-dimethoxyflavanone;cis-3-Hydroxy-5,7-dimethoxyflavanone |
| − | CAS_RN 693253-07-5 | + | CAS_RN 693253-07-5 |
| − | FORMULA C17H16O5 | + | FORMULA C17H16O5 |
| − | EXACTMASS 300.099773622 | + | EXACTMASS 300.099773622 |
| − | AVERAGEMASS 300.30593999999996 | + | AVERAGEMASS 300.30593999999996 |
| − | SMILES COc(c3)cc(O1)c(c(OC)3)C(=O)C([H])(O)C([H])1c(c2)cccc2 | + | SMILES COc(c3)cc(O1)c(c(OC)3)C(=O)C([H])(O)C([H])1c(c2)cccc2 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-1.8423 0.3729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1296 0.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8391 -0.4521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1223 -0.8614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4097 -0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4133 0.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3066 -0.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0192 -0.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0156 0.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2993 0.7949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6694 0.7664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3854 0.3567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0983 0.7719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0951 1.5969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3790 2.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6662 1.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3077 -1.4983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1223 -1.5696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4601 0.7296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6215 -0.7872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8794 -2.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0983 0.3611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0156 1.0576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5948 -0.1071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 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 6 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
4 18 1 0 0 0 0
1 19 1 0 0 0 0
8 20 1 6 0 0 0
18 21 1 0 0 0 0
19 22 1 0 0 0 0
9 23 1 1 0 0 0
8 24 1 1 0 0 0
S SKP 8
ID FL4DA9NS0011
KNApSAcK_ID C00014363
NAME (2R,3S)-3-Hydroxy-5,7-dimethoxyflavanone;cis-3-Hydroxy-5,7-dimethoxyflavanone
CAS_RN 693253-07-5
FORMULA C17H16O5
EXACTMASS 300.099773622
AVERAGEMASS 300.30593999999996
SMILES COc(c3)cc(O1)c(c(OC)3)C(=O)C([H])(O)C([H])1c(c2)cccc2
M END
