Mol:FL2FALNI0040
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
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| − | 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 |
| − | 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 |
| − | 6 25 1 0 0 0 0 | + | 6 25 1 0 0 0 0 |
| − | 25 21 1 0 0 0 0 | + | 25 21 1 0 0 0 0 |
| − | 12 26 1 0 0 0 0 | + | 12 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 24 28 1 0 0 0 0 | + | 24 28 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 31 33 1 0 0 0 0 | + | 31 33 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FALNI0040 | + | ID FL2FALNI0040 |
| − | KNApSAcK_ID C00014203 | + | KNApSAcK_ID C00014203 |
| − | NAME Kushenol Q;5,7,2',4'-Tetrahydroxy-8-[2-(2-hydroxyisopropyl)-5-methyl-4-hexenyl]flavanone | + | NAME Kushenol Q;5,7,2',4'-Tetrahydroxy-8-[2-(2-hydroxyisopropyl)-5-methyl-4-hexenyl]flavanone |
| − | CAS_RN 254886-70-9 | + | CAS_RN 254886-70-9 |
| − | FORMULA C26H32O7 | + | FORMULA C26H32O7 |
| − | EXACTMASS 456.214803378 | + | EXACTMASS 456.214803378 |
| − | AVERAGEMASS 456.52807999999993 | + | AVERAGEMASS 456.52807999999993 |
| − | SMILES Oc(c1)c(C(=O)2)c(OC(c(c3OC)ccc(c3)O)C2)c(CC(C(CO)C)CC=C(C)C)c1O | + | SMILES Oc(c1)c(C(=O)2)c(OC(c(c3OC)ccc(c3)O)C2)c(CC(C(CO)C)CC=C(C)C)c1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 35 0 0 0 0 0 0 0 0999 V2000
-1.4675 -0.4786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4490 -1.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6718 -1.6676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0170 -1.2665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0028 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7285 -0.0166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7380 -1.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4118 -1.2911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4025 -0.4247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7187 -0.0415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1170 -0.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8081 -0.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5195 -0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5399 0.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8282 1.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1078 0.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7380 -2.4337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1820 -0.0661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6718 -2.5177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1630 1.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4429 1.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4429 2.1052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7285 2.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1574 2.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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7 8 1 0 0 0 0
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9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 6 0 0 0
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12 13 1 0 0 0 0
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14 15 1 0 0 0 0
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3 19 1 0 0 0 0
14 20 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
6 25 1 0 0 0 0
25 21 1 0 0 0 0
12 26 1 0 0 0 0
26 27 1 0 0 0 0
24 28 1 0 0 0 0
21 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
31 32 1 0 0 0 0
31 33 1 0 0 0 0
S SKP 8
ID FL2FALNI0040
KNApSAcK_ID C00014203
NAME Kushenol Q;5,7,2',4'-Tetrahydroxy-8-[2-(2-hydroxyisopropyl)-5-methyl-4-hexenyl]flavanone
CAS_RN 254886-70-9
FORMULA C26H32O7
EXACTMASS 456.214803378
AVERAGEMASS 456.52807999999993
SMILES Oc(c1)c(C(=O)2)c(OC(c(c3OC)ccc(c3)O)C2)c(CC(C(CO)C)CC=C(C)C)c1O
M END
