Mol:FL4DALNI0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 37 39 0 0 0 0 0 0 0 0999 V2000 | + | 37 39 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0762 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0762 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5553 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5553 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0344 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0344 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0344 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0344 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5553 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5553 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0762 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0762 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4865 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4865 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0074 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0074 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0074 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0074 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4865 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4865 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4865 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4865 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5553 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5553 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5914 0.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5914 0.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1134 -0.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1134 -0.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6353 0.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6353 0.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6353 0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6353 0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1134 0.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1134 0.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5914 0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5914 0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1572 0.9410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1572 0.9410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5434 -1.4377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5434 -1.4377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5971 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5971 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5553 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5553 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0757 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0757 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0757 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0757 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5960 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5960 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5553 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5553 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5960 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5960 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1164 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1164 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6368 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6368 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1572 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1572 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6368 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6368 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5966 -1.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5966 -1.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1169 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1169 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6361 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6361 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1553 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1553 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6361 -1.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6361 -1.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0699 0.9409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0699 0.9409 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 |
| − | 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 |
| − | 2 12 1 0 0 0 0 | + | 2 12 1 0 0 0 0 |
| − | 9 13 1 6 0 0 0 | + | 9 13 1 6 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 8 20 1 1 0 0 0 | + | 8 20 1 1 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 5 22 1 0 0 0 0 | + | 5 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 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 2 0 0 0 0 | + | 24 26 2 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 1 0 0 0 0 | + | 29 31 1 0 0 0 0 |
| − | 1 32 1 0 0 0 0 | + | 1 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
| − | 18 37 1 0 0 0 0 | + | 18 37 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DALNI0002 | + | ID FL4DALNI0002 |
| − | KNApSAcK_ID C00008644 | + | KNApSAcK_ID C00008644 |
| − | NAME Kushenol M | + | NAME Kushenol M |
| − | CAS_RN 101236-51-5 | + | CAS_RN 101236-51-5 |
| − | FORMULA C30H36O7 | + | FORMULA C30H36O7 |
| − | EXACTMASS 508.246103506 | + | EXACTMASS 508.246103506 |
| − | AVERAGEMASS 508.60264000000006 | + | AVERAGEMASS 508.60264000000006 |
| − | SMILES c(c1)c(cc(O)c1C(C3O)Oc(c2CC(CC=C(C)C)C(C)=C)c(C3=O)c(O)c(CC=C(C)C)c2O)O | + | SMILES c(c1)c(cc(O)c1C(C3O)Oc(c2CC(CC=C(C)C)C(C)=C)c(C3=O)c(O)c(CC=C(C)C)c2O)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/
37 39 0 0 0 0 0 0 0 0999 V2000
-1.0762 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5553 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0344 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0344 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5553 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0762 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4865 -1.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0074 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0074 -0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4865 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4865 -1.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5553 -1.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5914 0.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1134 -0.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6353 0.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6353 0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1134 0.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5914 0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1572 0.9410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5434 -1.4377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5971 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5553 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0757 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0757 1.5028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5960 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5553 1.8032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5960 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1164 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6368 0.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1572 0.9019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6368 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5966 -1.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1169 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6361 -1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1553 -0.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6361 -1.8009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0699 0.9409 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
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
2 12 1 0 0 0 0
9 13 1 6 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
16 19 1 0 0 0 0
8 20 1 1 0 0 0
6 21 1 0 0 0 0
5 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
24 26 2 0 0 0 0
23 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
29 31 1 0 0 0 0
1 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
34 36 1 0 0 0 0
18 37 1 0 0 0 0
S SKP 8
ID FL4DALNI0002
KNApSAcK_ID C00008644
NAME Kushenol M
CAS_RN 101236-51-5
FORMULA C30H36O7
EXACTMASS 508.246103506
AVERAGEMASS 508.60264000000006
SMILES c(c1)c(cc(O)c1C(C3O)Oc(c2CC(CC=C(C)C)C(C)=C)c(C3=O)c(O)c(CC=C(C)C)c2O)O
M END
