Mol:FL4DAANI0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8429 -1.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8429 -1.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3220 -1.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3220 -1.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8011 -1.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8011 -1.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8011 -0.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8011 -0.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3220 -0.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3220 -0.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8429 -0.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8429 -0.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2802 -1.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2802 -1.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2407 -1.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2407 -1.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2407 -0.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2407 -0.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2802 -0.2194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2802 -0.2194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7610 -0.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7610 -0.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2802 -1.9463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2802 -1.9463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2954 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2954 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8298 -0.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8298 -0.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8298 0.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8298 0.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2954 0.7058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2954 0.7058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7610 0.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7610 0.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3632 -0.2197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3632 -0.2197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7610 -1.4221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7610 -1.4221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3632 0.7053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3632 0.7053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3220 -2.0232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3220 -2.0232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.8424 0.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8424 0.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.3627 1.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3627 1.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3220 1.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3220 1.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8424 2.0232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8424 2.0232 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 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 5 22 1 0 0 0 0 | + | 5 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 24 27 1 0 0 0 0 | + | 24 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DAANI0004 | + | ID FL4DAANI0004 |
| − | KNApSAcK_ID C00008617 | + | KNApSAcK_ID C00008617 |
| − | NAME 3,5,7,4'-Tetrahydroxy-8-(3-hydroxy-3-methylbutyl)flavanone | + | NAME 3,5,7,4'-Tetrahydroxy-8-(3-hydroxy-3-methylbutyl)flavanone |
| − | CAS_RN 124901-83-3 | + | CAS_RN 124901-83-3 |
| − | FORMULA C20H22O7 | + | FORMULA C20H22O7 |
| − | EXACTMASS 374.136553058 | + | EXACTMASS 374.136553058 |
| − | AVERAGEMASS 374.38448000000005 | + | AVERAGEMASS 374.38448000000005 |
| − | SMILES C(C)(C)(O)CCc(c13)c(O)cc(c1C(C(O)C(O3)c(c2)ccc(O)c2)=O)O | + | SMILES C(C)(C)(O)CCc(c13)c(O)cc(c1C(C(O)C(O3)c(c2)ccc(O)c2)=O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.8429 -1.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3220 -1.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8011 -1.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8011 -0.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3220 -0.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8429 -0.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2802 -1.4224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2407 -1.1216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2407 -0.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2802 -0.2194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7610 -0.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2802 -1.9463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2954 -0.5282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8298 -0.2197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8298 0.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2954 0.7058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7610 0.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3632 -0.2197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7610 -1.4221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3632 0.7053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3220 -2.0232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3220 0.3814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8424 0.6819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8424 1.2827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3627 1.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3220 1.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8424 2.0232 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
15 20 1 0 0 0 0
2 21 1 0 0 0 0
5 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
24 26 1 0 0 0 0
24 27 1 0 0 0 0
S SKP 8
ID FL4DAANI0004
KNApSAcK_ID C00008617
NAME 3,5,7,4'-Tetrahydroxy-8-(3-hydroxy-3-methylbutyl)flavanone
CAS_RN 124901-83-3
FORMULA C20H22O7
EXACTMASS 374.136553058
AVERAGEMASS 374.38448000000005
SMILES C(C)(C)(O)CCc(c13)c(O)cc(c1C(C(O)C(O3)c(c2)ccc(O)c2)=O)O
M END
