Mol:FL2FAANI0010
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9630 -0.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 -0.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9630 -1.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9630 -1.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 -1.9144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -1.9144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 -1.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -1.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8504 -0.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8504 -0.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 -0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -1.9144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -1.9144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 -1.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 -1.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2622 -0.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2622 -0.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -0.6297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -0.6297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 -0.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 -0.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 -0.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 -0.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 -0.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 -0.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9523 0.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9523 0.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 0.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 0.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8183 0.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8183 0.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2941 -2.4582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2941 -2.4582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 -2.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -2.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5191 -0.6298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5191 -0.6298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4067 -0.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4067 -0.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9628 0.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9628 0.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9628 0.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9628 0.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5189 1.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5189 1.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4079 1.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4079 1.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5191 0.3521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5191 0.3521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3853 1.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3853 1.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9521 1.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9521 1.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9521 1.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9521 1.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4019 1.6516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4019 1.6516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2719 2.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2719 2.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4831 2.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4831 2.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 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 0 0 0 0 | + | 9 11 1 0 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 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 |
| − | 14 25 1 0 0 0 0 | + | 14 25 1 0 0 0 0 |
| − | 15 26 1 0 0 0 0 | + | 15 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 29 28 1 0 0 0 0 | + | 29 28 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FAANI0010 | + | ID FL2FAANI0010 |
| − | KNApSAcK_ID C00008272 | + | KNApSAcK_ID C00008272 |
| − | NAME Flemiflavanone D | + | NAME Flemiflavanone D |
| − | CAS_RN 81656-59-9 | + | CAS_RN 81656-59-9 |
| − | FORMULA C25H28O6 | + | FORMULA C25H28O6 |
| − | EXACTMASS 424.188588628 | + | EXACTMASS 424.188588628 |
| − | AVERAGEMASS 424.48622 | + | AVERAGEMASS 424.48622 |
| − | SMILES c(c12)(C(CC(c(c3)cc(CC(C(C)(C)4)O4)c(O)c3)O2)=O)c(cc(O)c1CC=C(C)C)O | + | SMILES c(c12)(C(CC(c(c3)cc(CC(C(C)(C)4)O4)c(O)c3)O2)=O)c(cc(O)c1CC=C(C)C)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/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.9630 -0.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9630 -1.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -1.9144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -1.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -0.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -1.9144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -1.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -0.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -0.6297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 -0.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 -0.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 -0.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 0.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 0.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -2.4582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -2.5566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5191 -0.6298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -0.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9628 0.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9628 0.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5189 1.2760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4079 1.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5191 0.3521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 1.0067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9521 1.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9521 1.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4019 1.6516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2719 2.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4831 2.4396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 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 0 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
3 18 1 0 0 0 0
1 19 1 0 0 0 0
6 20 1 0 0 0 0
20 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
14 25 1 0 0 0 0
15 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
29 28 1 0 0 0 0
28 30 1 0 0 0 0
28 31 1 0 0 0 0
S SKP 8
ID FL2FAANI0010
KNApSAcK_ID C00008272
NAME Flemiflavanone D
CAS_RN 81656-59-9
FORMULA C25H28O6
EXACTMASS 424.188588628
AVERAGEMASS 424.48622
SMILES c(c12)(C(CC(c(c3)cc(CC(C(C)(C)4)O4)c(O)c3)O2)=O)c(cc(O)c1CC=C(C)C)O
M END
