Mol:FL1CA9NR0003
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 42 0 0 0 0 0 0 0 0999 V2000 | + | 39 42 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.5339 -0.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5339 -0.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5339 -0.7864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5339 -0.7864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0902 -1.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0902 -1.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6465 -0.7864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6465 -0.7864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6465 -0.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6465 -0.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0902 0.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0902 0.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4007 -0.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4007 -0.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9570 -1.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9570 -1.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8446 -1.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8446 -1.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2837 -0.7532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2837 -0.7532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8446 -1.7276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8446 -1.7276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2837 -0.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2837 -0.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2690 0.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2690 0.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8216 -0.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8216 -0.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8216 -0.7532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8216 -0.7532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2690 -1.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2690 -1.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2690 -1.7103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2690 -1.7103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8363 0.2040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8363 0.2040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2690 1.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2690 1.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2862 1.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2862 1.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2862 2.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2862 2.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2690 2.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2690 2.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8241 2.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8241 2.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8241 1.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8241 1.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3790 2.9348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3790 2.9348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8943 1.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8943 1.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8943 0.9210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8943 0.9210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5016 1.9729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5016 1.9729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3741 0.2039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3741 0.2039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9376 -1.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9376 -1.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5075 -1.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5075 -1.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0774 -1.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0774 -1.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0774 -1.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0774 -1.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5075 -2.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5075 -2.3274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9376 -1.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9376 -1.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6465 -1.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6465 -1.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3966 -2.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3966 -2.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3966 -2.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3966 -2.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8560 -1.9985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8560 -1.9985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 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 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 12 18 1 0 0 0 0 | + | 12 18 1 0 0 0 0 |
| − | 19 13 1 1 0 0 0 | + | 19 13 1 1 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 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 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 20 26 1 6 0 0 0 | + | 20 26 1 6 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 14 29 1 0 0 0 0 | + | 14 29 1 0 0 0 0 |
| − | 30 15 1 6 0 0 0 | + | 30 15 1 6 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 2 0 0 0 0 | + | 31 32 2 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
| − | 32 36 1 0 0 0 0 | + | 32 36 1 0 0 0 0 |
| − | 35 37 1 1 0 0 0 | + | 35 37 1 1 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 FL1CA9NR0003 | + | ID FL1CA9NR0003 |
| − | KNApSAcK_ID C00007135 | + | KNApSAcK_ID C00007135 |
| − | NAME Neolinderachalcone | + | NAME Neolinderachalcone |
| − | CAS_RN 120217-40-5 | + | CAS_RN 120217-40-5 |
| − | FORMULA C35H44O4 | + | FORMULA C35H44O4 |
| − | EXACTMASS 528.323959896 | + | EXACTMASS 528.323959896 |
| − | AVERAGEMASS 528.72146 | + | AVERAGEMASS 528.72146 |
| − | SMILES c(c2C(C=Cc(c4)cccc4)=O)(c(C(C=3)C(CCC3C)C(C)C)c(O)c(c2O)C(C=1)C(CCC1C)C(C)C)O | + | SMILES c(c2C(C=Cc(c4)cccc4)=O)(c(C(C=3)C(CCC3C)C(C)C)c(O)c(c2O)C(C=1)C(CCC1C)C(C)C)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/
39 42 0 0 0 0 0 0 0 0999 V2000
2.5339 -0.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5339 -0.7864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0902 -1.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6465 -0.7864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6465 -0.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0902 0.1771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4007 -0.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9570 -1.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8446 -1.0868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2837 -0.7532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8446 -1.7276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2837 -0.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2690 0.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8216 -0.1151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8216 -0.7532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2690 -1.0723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2690 -1.7103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8363 0.2040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2690 1.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2862 1.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2862 2.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2690 2.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8241 2.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8241 1.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3790 2.9348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8943 1.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8943 0.9210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5016 1.9729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3741 0.2039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9376 -1.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5075 -1.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0774 -1.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0774 -1.9983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.3966 -2.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3966 -2.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8560 -1.9985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 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 10 1 0 0 0 0
16 17 1 0 0 0 0
12 18 1 0 0 0 0
19 13 1 1 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 19 1 0 0 0 0
23 25 1 0 0 0 0
20 26 1 6 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
14 29 1 0 0 0 0
30 15 1 6 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
32 36 1 0 0 0 0
35 37 1 1 0 0 0
37 38 1 0 0 0 0
37 39 1 0 0 0 0
S SKP 8
ID FL1CA9NR0003
KNApSAcK_ID C00007135
NAME Neolinderachalcone
CAS_RN 120217-40-5
FORMULA C35H44O4
EXACTMASS 528.323959896
AVERAGEMASS 528.72146
SMILES c(c2C(C=Cc(c4)cccc4)=O)(c(C(C=3)C(CCC3C)C(C)C)c(O)c(c2O)C(C=1)C(CCC1C)C(C)C)O
M END
