Mol:FL4DA9NS0005
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 |
| − | -1.6577 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6577 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1368 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1368 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6159 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6159 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6159 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6159 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1368 0.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1368 0.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6577 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6577 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0950 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0950 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4258 -0.4820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 0.4258 -0.4820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 0.4258 0.1195 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.4258 0.1195 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -0.0950 0.4202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0950 0.4202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9462 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9462 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0950 -1.3066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0950 -1.3066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4806 0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4806 0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0149 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0149 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0149 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0149 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4806 1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4806 1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9462 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9462 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8572 -0.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8572 -0.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5911 -0.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5911 -0.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8766 -1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8766 -1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0149 0.7382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0149 0.7382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5149 1.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5149 1.6042 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 8 18 1 1 0 0 0 | + | 8 18 1 1 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 21 22 | + | M SAL 2 2 21 22 |
| − | M SBL 2 1 23 | + | M SBL 2 1 23 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 23 -2.0149 0.7382 | + | M SVB 2 23 -2.0149 0.7382 |
| − | 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 -1.5911 -0.9329 | + | M SVB 1 21 -1.5911 -0.9329 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DA9NS0005 | + | ID FL4DA9NS0005 |
| − | KNApSAcK_ID C00008550 | + | KNApSAcK_ID C00008550 |
| − | NAME (2R.3R)-3-Hydroxy-5,7-dimethoxyflavanone;(2R,3R)-5,7-Di-O-methylpinobanksin | + | NAME (2R.3R)-3-Hydroxy-5,7-dimethoxyflavanone;(2R,3R)-5,7-Di-O-methylpinobanksin |
| − | CAS_RN 67335-36-8 | + | CAS_RN 67335-36-8 |
| − | 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 | ||
| − | |||
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
-1.6577 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1368 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6159 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6159 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1368 0.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6577 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4258 -0.4820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
0.4258 0.1195 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.0950 0.4202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9462 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -1.3066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4806 0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0149 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0149 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4806 1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9462 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8572 -0.9134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5911 -0.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8766 -1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0149 0.7382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5149 1.6042 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
3 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 4 1 0 0 0 0
9 11 1 6 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
8 18 1 1 0 0 0
2 19 1 0 0 0 0
19 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 -2.0149 0.7382
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 -1.5911 -0.9329
S SKP 8
ID FL4DA9NS0005
KNApSAcK_ID C00008550
NAME (2R.3R)-3-Hydroxy-5,7-dimethoxyflavanone;(2R,3R)-5,7-Di-O-methylpinobanksin
CAS_RN 67335-36-8
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
