Mol:FL2FALNI0041
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 35 0 0 0 0 0 0 0 0999 V2000 | + | 33 35 0 0 0 0 0 0 0 0999 V2000 |
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| − | -1.4490 -1.2824 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 | + | -0.6718 -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 | + | -0.0170 -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 | + | -0.0028 -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 | + | -0.7285 -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 | + | 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 | + | 1.4118 -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 | + | 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 | + | 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 | + | 2.1170 -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 | + | 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 | + | 3.5195 -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 | + | 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 | + | 2.8282 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 | + | 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 | + | 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 | + | -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 | + | -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 | + | 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 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 | + | -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 | + | -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 | + | -2.1574 2.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7285 0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7285 0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8081 -1.1336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8081 -1.1336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.8231 1.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8231 1.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4860 0.8735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4860 0.8735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4860 0.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4860 0.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1630 1.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1630 1.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1626 0.4829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1626 0.4829 0.0000 O 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 |
| − | 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 2 0 0 0 0 | + | 22 23 2 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 |
| − | 21 28 1 0 0 0 0 | + | 21 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 30 33 1 0 0 0 0 | + | 30 33 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FALNI0041 | + | ID FL2FALNI0041 |
| − | KNApSAcK_ID C00014204 | + | KNApSAcK_ID C00014204 |
| − | NAME Kushenol P;(2S)-5,7,4'-Trihydroxy-2'-methoxy-8-(5-hydroxy-5-methyl-2-isopropenylhexyl)flavanone | + | NAME Kushenol P;(2S)-5,7,4'-Trihydroxy-2'-methoxy-8-(5-hydroxy-5-methyl-2-isopropenylhexyl)flavanone |
| − | CAS_RN 254886-69-6 | + | CAS_RN 254886-69-6 |
| − | FORMULA C26H32O7 | + | FORMULA C26H32O7 |
| − | EXACTMASS 456.214803378 | + | EXACTMASS 456.214803378 |
| − | AVERAGEMASS 456.52807999999993 | + | AVERAGEMASS 456.52807999999993 |
| − | SMILES c(c3)(OC)c(ccc3O)C(O1)CC(c(c2O)c1c(c(O)c2)CC(CCC(C)(C)O)C(C)=C)=O | + | SMILES c(c3)(OC)c(ccc3O)C(O1)CC(c(c2O)c1c(c(O)c2)CC(CCC(C)(C)O)C(C)=C)=O |
M END | M END | ||
| − | |||
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
-0.7285 0.8677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8081 -1.1336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4052 -1.4783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1539 0.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8231 1.2562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4860 0.8735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4860 0.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1630 1.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1626 0.4829 0.0000 O 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
21 22 1 0 0 0 0
22 23 2 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
21 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 0 0 0 0
30 32 1 0 0 0 0
30 33 1 0 0 0 0
S SKP 8
ID FL2FALNI0041
KNApSAcK_ID C00014204
NAME Kushenol P;(2S)-5,7,4'-Trihydroxy-2'-methoxy-8-(5-hydroxy-5-methyl-2-isopropenylhexyl)flavanone
CAS_RN 254886-69-6
FORMULA C26H32O7
EXACTMASS 456.214803378
AVERAGEMASS 456.52807999999993
SMILES c(c3)(OC)c(ccc3O)C(O1)CC(c(c2O)c1c(c(O)c2)CC(CCC(C)(C)O)C(C)=C)=O
M END
