Mol:FL4DALNI0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 39 41 0 0 0 0 0 0 0 0999 V2000 | + | 39 41 0 0 0 0 0 0 0 0999 V2000 |
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| − | 0.2990 -1.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2990 -1.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
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| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 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 |
| − | 23 25 1 0 0 0 0 | + | 23 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 |
| − | 16 30 1 0 0 0 0 | + | 16 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 14 32 1 0 0 0 0 | + | 14 32 1 0 0 0 0 |
| − | 18 33 1 0 0 0 0 | + | 18 33 1 0 0 0 0 |
| − | 8 34 1 1 0 0 0 | + | 8 34 1 1 0 0 0 |
| − | 5 35 1 0 0 0 0 | + | 5 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 2 0 0 0 0 | + | 36 37 2 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 37 39 1 0 0 0 0 | + | 37 39 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DALNI0003 | + | ID FL4DALNI0003 |
| − | KNApSAcK_ID C00008645 | + | KNApSAcK_ID C00008645 |
| − | NAME Kenusanone C | + | NAME Kenusanone C |
| − | CAS_RN 144180-17-6 | + | CAS_RN 144180-17-6 |
| − | FORMULA C31H38O8 | + | FORMULA C31H38O8 |
| − | EXACTMASS 538.256668192 | + | EXACTMASS 538.256668192 |
| − | AVERAGEMASS 538.62862 | + | AVERAGEMASS 538.62862 |
| − | SMILES O=C(c21)C(O)C(c(c(O)3)c(O)cc(OC)c3)Oc(c(CC=C(C)C)c(O)c(c(O)2)CC=C(C)CCC=C(C)C)1 | + | SMILES O=C(c21)C(O)C(c(c(O)3)c(O)cc(OC)c3)Oc(c(CC=C(C)C)c(O)c(c(O)2)CC=C(C)CCC=C(C)C)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
39 41 0 0 0 0 0 0 0 0999 V2000
-0.4155 -1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2990 -1.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0134 -1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0134 -0.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2990 -0.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4155 -0.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7278 -1.6505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4423 -1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4423 -0.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7278 -0.0005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7278 -2.3690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2990 -2.4745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2434 0.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9592 -0.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6750 0.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6750 0.8760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9592 1.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2434 0.8760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1298 -0.0005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-1.8428 -1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5549 -1.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2670 -1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5549 -2.4713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9775 -1.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6863 -1.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3951 -1.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1039 -1.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.3951 -2.4665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3895 1.2886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1039 0.8761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9592 -1.1888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5289 1.2886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1568 -1.6504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2990 0.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4155 1.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4155 2.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1300 2.4745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2990 2.4745 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
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
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17 18 2 0 0 0 0
18 13 1 0 0 0 0
6 19 1 0 0 0 0
1 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
23 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
16 30 1 0 0 0 0
30 31 1 0 0 0 0
14 32 1 0 0 0 0
18 33 1 0 0 0 0
8 34 1 1 0 0 0
5 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
37 38 1 0 0 0 0
37 39 1 0 0 0 0
S SKP 8
ID FL4DALNI0003
KNApSAcK_ID C00008645
NAME Kenusanone C
CAS_RN 144180-17-6
FORMULA C31H38O8
EXACTMASS 538.256668192
AVERAGEMASS 538.62862
SMILES O=C(c21)C(O)C(c(c(O)3)c(O)cc(OC)c3)Oc(c(CC=C(C)C)c(O)c(c(O)2)CC=C(C)CCC=C(C)C)1
M END
