Mol:FL2FAANI0026
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4974 -0.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4974 -0.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4788 -1.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4788 -1.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7017 -1.6025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7017 -1.6025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0468 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0468 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0327 -0.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0327 -0.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7583 0.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7583 0.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2919 -1.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2919 -1.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3819 -1.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3819 -1.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3727 -0.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3727 -0.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3112 0.0237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3112 0.0237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0872 0.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0872 0.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7782 -0.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7782 -0.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4896 0.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4896 0.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5101 0.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5101 0.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7983 1.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7983 1.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0779 0.9193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0779 0.9193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2919 -2.3686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2919 -2.3686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2119 -0.0009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2119 -0.0009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2119 1.2949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2119 1.2949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7017 -2.4526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7017 -2.4526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7583 0.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7583 0.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4728 1.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4728 1.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1873 0.8026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1873 0.8026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4728 2.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4728 2.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7583 2.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7583 2.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1873 2.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1873 2.4526 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 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 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FAANI0026 | + | ID FL2FAANI0026 |
| − | KNApSAcK_ID C00014198 | + | KNApSAcK_ID C00014198 |
| − | NAME Tomentosanol D;5,7,4'-Trihydroxy-8-(2-hydroxy-3-methylbutyl-3-enyl)flavanone | + | NAME Tomentosanol D;5,7,4'-Trihydroxy-8-(2-hydroxy-3-methylbutyl-3-enyl)flavanone |
| − | CAS_RN 202054-73-7 | + | CAS_RN 202054-73-7 |
| − | FORMULA C20H20O6 | + | FORMULA C20H20O6 |
| − | EXACTMASS 356.125988372 | + | EXACTMASS 356.125988372 |
| − | AVERAGEMASS 356.3692 | + | AVERAGEMASS 356.3692 |
| − | SMILES c(c(CC(O)C(C)=C)3)(c2c(cc(O)3)O)OC(CC(=O)2)c(c1)ccc(O)c1 | + | SMILES c(c(CC(O)C(C)=C)3)(c2c(cc(O)3)O)OC(CC(=O)2)c(c1)ccc(O)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-2.4974 -0.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4788 -1.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7017 -1.6025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0468 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0327 -0.3765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7583 0.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2919 -1.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3819 -1.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3727 -0.3596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3112 0.0237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0872 0.0529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7782 -0.3335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4896 0.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5101 0.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7983 1.3195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0779 0.9193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2919 -2.3686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2119 -0.0009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2119 1.2949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7017 -2.4526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7583 0.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4728 1.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1873 0.8026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4728 2.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7583 2.4526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1873 2.4526 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
1 18 1 0 0 0 0
14 19 1 0 0 0 0
3 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
24 25 2 0 0 0 0
24 26 1 0 0 0 0
S SKP 8
ID FL2FAANI0026
KNApSAcK_ID C00014198
NAME Tomentosanol D;5,7,4'-Trihydroxy-8-(2-hydroxy-3-methylbutyl-3-enyl)flavanone
CAS_RN 202054-73-7
FORMULA C20H20O6
EXACTMASS 356.125988372
AVERAGEMASS 356.3692
SMILES c(c(CC(O)C(C)=C)3)(c2c(cc(O)3)O)OC(CC(=O)2)c(c1)ccc(O)c1
M END
