Mol:FL4DALNI0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 36 0 0 0 0 0 0 0 0999 V2000 | + | 34 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0242 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0242 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5033 -1.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5033 -1.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0176 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0176 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0176 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0176 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5033 -0.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5033 -0.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0242 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0242 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5385 -1.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5385 -1.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0594 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0594 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0594 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0594 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5385 -0.0185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5385 -0.0185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5385 -1.7453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5385 -1.7453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6435 0.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6435 0.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1654 -0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1654 -0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6873 0.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6873 0.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6873 0.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6873 0.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1654 0.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1654 0.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6435 0.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6435 0.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5954 -1.4567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5954 -1.4567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2088 0.9218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2088 0.9218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5309 -0.0267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5309 -0.0267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5033 0.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5033 0.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0237 0.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0237 0.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0237 1.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0237 1.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5440 1.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5440 1.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5033 1.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5033 1.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5440 0.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5440 0.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0644 0.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0644 0.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5848 0.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5848 0.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1052 0.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1052 0.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5848 -0.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5848 -0.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1219 0.9218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1219 0.9218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2088 0.2221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2088 0.2221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9576 -1.3716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9576 -1.3716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2431 -1.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2431 -1.7841 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 6 0 0 0 | + | 9 12 1 6 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 8 18 1 6 0 0 0 | + | 8 18 1 6 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 5 21 1 0 0 0 0 | + | 5 21 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 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 2 0 0 0 0 | + | 23 25 2 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 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 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 17 31 1 0 0 0 0 | + | 17 31 1 0 0 0 0 |
| − | 28 32 1 0 0 0 0 | + | 28 32 1 0 0 0 0 |
| − | 2 33 1 0 0 0 0 | + | 2 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 33 34 | + | M SAL 1 2 33 34 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 35 -7.6882 4.0861 | + | M SBV 1 35 -7.6882 4.0861 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DALNI0007 | + | ID FL4DALNI0007 |
| − | KNApSAcK_ID C00008653 | + | KNApSAcK_ID C00008653 |
| − | NAME Kushenol K | + | NAME Kushenol K |
| − | CAS_RN 101236-49-1 | + | CAS_RN 101236-49-1 |
| − | FORMULA C26H32O8 | + | FORMULA C26H32O8 |
| − | EXACTMASS 472.20971799999995 | + | EXACTMASS 472.20971799999995 |
| − | AVERAGEMASS 472.52747999999997 | + | AVERAGEMASS 472.52747999999997 |
| − | SMILES C(C(C)=C)(Cc(c12)c(cc(OC)c1C(=O)C(O)C(c(c3)c(cc(O)c3)O)O2)O)CCC(C)(C)O | + | SMILES C(C(C)=C)(Cc(c12)c(cc(OC)c1C(=O)C(O)C(c(c3)c(cc(O)c3)O)O2)O)CCC(C)(C)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 36 0 0 0 0 0 0 0 0999 V2000
-1.0242 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5033 -1.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0176 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0176 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5033 -0.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0242 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5385 -1.2214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0594 -0.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0594 -0.3192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5385 -0.0185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5385 -1.7453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6435 0.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1654 -0.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6873 0.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6873 0.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1654 0.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6435 0.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5954 -1.4567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2088 0.9218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5309 -0.0267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5033 0.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0237 0.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0237 1.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5440 1.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5033 1.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5440 0.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0644 0.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5848 0.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1052 0.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5848 -0.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1219 0.9218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2088 0.2221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9576 -1.3716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2431 -1.7841 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
3 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 4 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 6 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
8 18 1 6 0 0 0
15 19 1 0 0 0 0
6 20 1 0 0 0 0
5 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 2 0 0 0 0
22 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
17 31 1 0 0 0 0
28 32 1 0 0 0 0
2 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 33 34
M SBL 1 1 35
M SMT 1 OCH3
M SBV 1 35 -7.6882 4.0861
S SKP 8
ID FL4DALNI0007
KNApSAcK_ID C00008653
NAME Kushenol K
CAS_RN 101236-49-1
FORMULA C26H32O8
EXACTMASS 472.20971799999995
AVERAGEMASS 472.52747999999997
SMILES C(C(C)=C)(Cc(c12)c(cc(OC)c1C(=O)C(O)C(c(c3)c(cc(O)c3)O)O2)O)CCC(C)(C)O
M END
