Mol:FL2FAANI0024
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4974 -1.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4974 -1.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4788 -1.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4788 -1.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7017 -2.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7017 -2.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.0327 -1.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0327 -1.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7583 -0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7583 -0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2919 -2.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2919 -2.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3819 -1.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3819 -1.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3727 -1.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3727 -1.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3112 -0.6449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3112 -0.6449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0872 -0.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0872 -0.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7782 -1.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7782 -1.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4896 -0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4896 -0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5101 0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5101 0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7983 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7983 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0779 0.2508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0779 0.2508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2919 -3.0372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2919 -3.0372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2119 -0.6695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2119 -0.6695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2119 0.6263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2119 0.6263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7017 -2.9871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7017 -2.9871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7983 1.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7983 1.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.5755 2.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5755 2.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5755 1.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5755 1.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3451 3.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3451 3.0372 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 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 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 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FAANI0024 | + | ID FL2FAANI0024 |
| − | KNApSAcK_ID C00014186 | + | KNApSAcK_ID C00014186 |
| − | NAME Macarangaflavanone A;5,7,4'-Trihydroxy-3'-geranylflavanone | + | NAME Macarangaflavanone A;5,7,4'-Trihydroxy-3'-geranylflavanone |
| − | CAS_RN 171370-48-2 | + | CAS_RN 171370-48-2 |
| − | FORMULA C25H28O5 | + | FORMULA C25H28O5 |
| − | EXACTMASS 408.193674006 | + | EXACTMASS 408.193674006 |
| − | AVERAGEMASS 408.48682 | + | AVERAGEMASS 408.48682 |
| − | SMILES c(c3)(cc(C=C(C)CCCC=C(C)C)c(c3)O)C(C2)Oc(c(C(=O)2)1)cc(cc1O)O | + | SMILES c(c3)(cc(C=C(C)CCCC=C(C)C)c(c3)O)C(C2)Oc(c(C(=O)2)1)cc(cc1O)O |
M END | M END | ||
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Revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 32 0 0 0 0 0 0 0 0999 V2000
-2.4974 -1.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4788 -1.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7017 -2.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0468 -1.8699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0327 -1.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7583 -0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2919 -2.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3819 -1.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3727 -1.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3112 -0.6449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0872 -0.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7782 -1.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4896 -0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5101 0.2212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7983 0.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0779 0.2508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2919 -3.0372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2119 -0.6695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2119 0.6263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7017 -2.9871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7983 1.4029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1625 1.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5226 1.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1625 2.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4503 2.9531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2050 2.5747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9059 2.9794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5755 2.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5755 1.7463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3451 3.0372 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
15 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
S SKP 8
ID FL2FAANI0024
KNApSAcK_ID C00014186
NAME Macarangaflavanone A;5,7,4'-Trihydroxy-3'-geranylflavanone
CAS_RN 171370-48-2
FORMULA C25H28O5
EXACTMASS 408.193674006
AVERAGEMASS 408.48682
SMILES c(c3)(cc(C=C(C)CCCC=C(C)C)c(c3)O)C(C2)Oc(c(C(=O)2)1)cc(cc1O)O
M END
