Mol:FL4DA8NS0005
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 |
| − | -1.5761 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5761 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0552 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0552 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5344 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5344 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5344 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5344 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0552 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0552 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5761 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5761 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0135 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0135 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5074 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5074 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5074 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5074 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0135 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0135 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0278 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0278 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0135 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0135 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5621 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5621 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0965 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0965 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0965 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0965 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5621 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5621 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0278 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0278 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0965 0.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0965 0.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9388 -0.8943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9388 -0.8943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0552 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0552 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4943 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4943 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5621 -0.2562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5621 -0.2562 0.0000 O 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 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 8 19 1 1 0 0 0 | + | 8 19 1 1 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 17 21 1 0 0 0 0 | + | 17 21 1 0 0 0 0 |
| − | 13 22 1 0 0 0 0 | + | 13 22 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DA8NS0005 | + | ID FL4DA8NS0005 |
| − | KNApSAcK_ID C00008574 | + | KNApSAcK_ID C00008574 |
| − | NAME 3,5,7,2',6'-Pentahydroxyflavanone | + | NAME 3,5,7,2',6'-Pentahydroxyflavanone |
| − | CAS_RN 82854-32-8 | + | CAS_RN 82854-32-8 |
| − | FORMULA C15H12O7 | + | FORMULA C15H12O7 |
| − | EXACTMASS 304.058302738 | + | EXACTMASS 304.058302738 |
| − | AVERAGEMASS 304.25158 | + | AVERAGEMASS 304.25158 |
| − | SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C(O)C1c(c(O)2)c(O)ccc2 | + | SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C(O)C1c(c(O)2)c(O)ccc2 |
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
-1.5761 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0552 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5344 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5344 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0552 0.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5761 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0135 -0.7636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5074 -0.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5074 0.1385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0135 0.4393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0278 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0135 -1.2876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5621 0.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0965 0.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0965 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5621 1.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0278 1.0560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0965 0.4390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9388 -0.8943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0552 -1.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4943 1.3640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5621 -0.2562 0.0000 O 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
6 18 1 0 0 0 0
8 19 1 1 0 0 0
2 20 1 0 0 0 0
17 21 1 0 0 0 0
13 22 1 0 0 0 0
S SKP 8
ID FL4DA8NS0005
KNApSAcK_ID C00008574
NAME 3,5,7,2',6'-Pentahydroxyflavanone
CAS_RN 82854-32-8
FORMULA C15H12O7
EXACTMASS 304.058302738
AVERAGEMASS 304.25158
SMILES Oc(c3)cc(O1)c(c(O)3)C(=O)C(O)C1c(c(O)2)c(O)ccc2
M END
