Mol:FL2FA9NI0022
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 31 0 0 0 0 0 0 0 0999 V2000 | + | 29 31 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.0159 0.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0159 0.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0241 -0.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0241 -0.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7939 -0.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7939 -0.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4623 -0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4623 -0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4765 0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4765 0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7508 1.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7508 1.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2134 -0.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2134 -0.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8910 -0.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8910 -0.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8838 0.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8838 0.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1979 1.1945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1979 1.1945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6053 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6053 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2987 0.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2987 0.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0127 1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0127 1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0267 2.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0267 2.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3184 2.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3184 2.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5980 2.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5980 2.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1991 -1.2807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1991 -1.2807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6914 1.1896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6914 1.1896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7796 -1.2558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7796 -1.2558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4223 0.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4223 0.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1247 1.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1247 1.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8486 0.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8486 0.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5547 1.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5547 1.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8630 -0.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8630 -0.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5839 -0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5839 -0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5982 -1.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5982 -1.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3195 -1.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3195 -1.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3338 -2.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3338 -2.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.0267 -1.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.0267 -1.2215 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 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 |
| − | 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 |
| − | 18 20 1 0 0 0 0 | + | 18 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 |
| − | 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 2 0 0 0 0 | + | 26 27 2 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 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA9NI0022 | + | ID FL2FA9NI0022 |
| − | KNApSAcK_ID C00014172 | + | KNApSAcK_ID C00014172 |
| − | NAME 5-Hydroxy-7-O-nerylflavanone | + | NAME 5-Hydroxy-7-O-nerylflavanone |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C25H28O4 | + | FORMULA C25H28O4 |
| − | EXACTMASS 392.19875938399997 | + | EXACTMASS 392.19875938399997 |
| − | AVERAGEMASS 392.48742 | + | AVERAGEMASS 392.48742 |
| − | SMILES C(C3=O)C(Oc(c32)cc(OCC=C(CCC=C(C)C)C)cc2O)c(c1)cccc1 | + | SMILES C(C3=O)C(Oc(c32)cc(OCC=C(CCC=C(C)C)C)cc2O)c(c1)cccc1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
0.0159 0.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0241 -0.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7939 -0.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4623 -0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4765 0.7944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7508 1.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2134 -0.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8910 -0.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8838 0.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1979 1.1945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6053 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2987 0.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0127 1.2218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0267 2.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3184 2.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5980 2.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1991 -1.2807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6914 1.1896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7796 -1.2558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4223 0.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1247 1.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8486 0.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5547 1.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8630 -0.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5839 -0.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5982 -1.2463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3195 -1.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3338 -2.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0267 -1.2215 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 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
18 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
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
S SKP 8
ID FL2FA9NI0022
KNApSAcK_ID C00014172
NAME 5-Hydroxy-7-O-nerylflavanone
CAS_RN -
FORMULA C25H28O4
EXACTMASS 392.19875938399997
AVERAGEMASS 392.48742
SMILES C(C3=O)C(Oc(c32)cc(OCC=C(CCC=C(C)C)C)cc2O)c(c1)cccc1
M END
