Mol:FL2FACNI0016
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 |
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| − | -1.6639 -0.8843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6639 -0.8843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8868 -1.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8868 -1.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2319 -0.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2319 -0.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2177 -0.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2177 -0.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9434 0.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9434 0.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5230 -1.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5230 -1.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1968 -0.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1968 -0.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1876 -0.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1876 -0.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5037 0.3566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5037 0.3566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9021 0.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9021 0.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5932 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5932 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3045 0.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3045 0.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3250 1.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3250 1.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6132 1.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6132 1.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8929 1.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8929 1.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5230 -2.0356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5230 -2.0356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 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 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 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 |
| − | 13 23 1 0 0 0 0 | + | 13 23 1 0 0 0 0 |
| − | 22 24 2 0 0 0 0 | + | 22 24 2 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 |
| − | 24 27 1 0 0 0 0 | + | 24 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FACNI0016 | + | ID FL2FACNI0016 |
| − | KNApSAcK_ID C00014201 | + | KNApSAcK_ID C00014201 |
| − | NAME Licoleafol;(2S)-5,7,3',4'-Tetrahydroxy-8-[(E)-3-hydroxymethyl-2-butenyl]flavanone | + | NAME Licoleafol;(2S)-5,7,3',4'-Tetrahydroxy-8-[(E)-3-hydroxymethyl-2-butenyl]flavanone |
| − | CAS_RN 677709-68-1 | + | CAS_RN 677709-68-1 |
| − | FORMULA C20H20O7 | + | FORMULA C20H20O7 |
| − | EXACTMASS 372.120902994 | + | EXACTMASS 372.120902994 |
| − | AVERAGEMASS 372.3686 | + | AVERAGEMASS 372.3686 |
| − | SMILES C(=O)(C2)c(c1OC2c(c3)cc(c(O)c3)O)c(cc(O)c(CC=C(CO)C)1)O | + | SMILES C(=O)(C2)c(c1OC2c(c3)cc(c(O)c3)O)c(cc(O)c(CC=C(CO)C)1)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
-1.6825 -0.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6639 -0.8843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8868 -1.2695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2319 -0.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2177 -0.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9434 0.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5230 -1.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1968 -0.8929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1876 -0.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5037 0.3566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9021 0.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5932 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3045 0.3979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3250 1.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6132 1.6525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8929 1.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5230 -2.0356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3969 0.3320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8868 -2.1196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9480 1.5824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9599 1.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7111 2.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9703 0.0135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4642 1.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2309 2.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9703 1.6927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4642 1.0176 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
3 19 1 0 0 0 0
14 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
13 23 1 0 0 0 0
22 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
24 27 1 0 0 0 0
S SKP 8
ID FL2FACNI0016
KNApSAcK_ID C00014201
NAME Licoleafol;(2S)-5,7,3',4'-Tetrahydroxy-8-[(E)-3-hydroxymethyl-2-butenyl]flavanone
CAS_RN 677709-68-1
FORMULA C20H20O7
EXACTMASS 372.120902994
AVERAGEMASS 372.3686
SMILES C(=O)(C2)c(c1OC2c(c3)cc(c(O)c3)O)c(cc(O)c(CC=C(CO)C)1)O
M END
