Mol:FLIFWXNF0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 32 0 0 0 0 0 0 0 0999 V2000 | + | 27 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7464 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7464 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7464 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7464 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1901 -0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1901 -0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6338 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6338 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6338 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6338 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1901 1.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1901 1.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0775 -0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0775 -0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4788 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4788 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4788 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4788 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0775 1.2427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0775 1.2427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0349 -0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0349 -0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0349 -0.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0349 -0.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6297 -1.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6297 -1.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2245 -0.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2245 -0.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2245 -0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2245 -0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6297 0.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6297 0.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0775 -0.6842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0775 -0.6842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6567 0.9215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6567 0.9215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0351 1.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0351 1.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3573 1.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3573 1.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7349 0.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7349 0.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3573 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3573 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7725 -1.7439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7725 -1.7439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4555 -1.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4555 -1.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7349 -1.1883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7349 -1.1883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9120 1.8157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9120 1.8157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4754 2.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4754 2.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 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 2 0 0 0 0 | + | 8 9 2 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 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 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 9 1 0 0 0 0 | + | 19 9 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 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 2 1 0 0 0 0 | + | 22 2 1 0 0 0 0 |
| − | 13 23 1 0 0 0 0 | + | 13 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 |
| − | 25 14 1 0 0 0 0 | + | 25 14 1 0 0 0 0 |
| − | 6 26 1 0 0 0 0 | + | 6 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 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 26 27 | + | M SAL 1 2 26 27 |
| − | M SBL 1 1 31 | + | M SBL 1 1 31 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 31 -0.912 1.8157 | + | M SVB 1 31 -0.912 1.8157 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIFWXNF0002 | + | ID FLIFWXNF0002 |
| − | KNApSAcK_ID C00009599 | + | KNApSAcK_ID C00009599 |
| − | NAME Dehydropachyrrhizone;6a,13a-Didehydropachyrrhizone | + | NAME Dehydropachyrrhizone;6a,13a-Didehydropachyrrhizone |
| − | CAS_RN 28607-94-5 | + | CAS_RN 28607-94-5 |
| − | FORMULA C20H12O7 | + | FORMULA C20H12O7 |
| − | EXACTMASS 364.058302738 | + | EXACTMASS 364.058302738 |
| − | AVERAGEMASS 364.30508 | + | AVERAGEMASS 364.30508 |
| − | SMILES O(C)c(c26)c(o1)c(cc2C(C(c34)=C(O6)COc3cc(O5)c(OC5)c4)=O)cc1 | + | SMILES O(C)c(c26)c(o1)c(cc2C(C(c34)=C(O6)COc3cc(O5)c(OC5)c4)=O)cc1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 32 0 0 0 0 0 0 0 0999 V2000
-1.7464 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7464 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1901 -0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6338 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6338 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1901 1.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0775 -0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4788 0.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4788 0.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0775 1.2427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0349 -0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0349 -0.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6297 -1.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2245 -0.7287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2245 -0.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6297 0.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0775 -0.6842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6567 0.9215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0351 1.2427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3573 1.1200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7349 0.6003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3573 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7725 -1.7439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4555 -1.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7349 -1.1883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9120 1.8157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4754 2.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 0 0 0
11 12 1 0 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 11 2 0 0 0 0
7 17 2 0 0 0 0
16 18 1 0 0 0 0
18 19 1 0 0 0 0
19 9 1 0 0 0 0
1 2 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 2 1 0 0 0 0
13 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 14 1 0 0 0 0
6 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 26 27
M SBL 1 1 31
M SMT 1 OCH3
M SVB 1 31 -0.912 1.8157
S SKP 8
ID FLIFWXNF0002
KNApSAcK_ID C00009599
NAME Dehydropachyrrhizone;6a,13a-Didehydropachyrrhizone
CAS_RN 28607-94-5
FORMULA C20H12O7
EXACTMASS 364.058302738
AVERAGEMASS 364.30508
SMILES O(C)c(c26)c(o1)c(cc2C(C(c34)=C(O6)COc3cc(O5)c(OC5)c4)=O)cc1
M END
