Mol:FL1CA9NC0001
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 43 0 0 0 0 0 0 0 0999 V2000 | + | 39 43 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4561 0.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4561 0.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4561 -0.6328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4561 -0.6328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7416 -1.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7416 -1.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0272 -0.6328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0272 -0.6328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0272 0.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0272 0.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7416 0.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7416 0.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7416 1.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7416 1.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4561 1.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4561 1.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1706 1.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1706 1.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1706 0.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1706 0.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3127 0.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3127 0.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3127 1.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3127 1.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0272 1.8422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0272 1.8422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4018 0.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4018 0.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1163 0.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1163 0.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1163 1.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1163 1.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4018 1.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4018 1.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7416 2.2383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7416 2.2383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7527 1.7971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7527 1.7971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4018 -0.4846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4018 -0.4846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8681 0.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8681 0.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8681 -0.5054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8681 -0.5054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5768 0.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5768 0.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2897 0.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2897 0.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9773 0.5651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9773 0.5651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6918 0.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6918 0.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4062 0.5651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4062 0.5651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4062 1.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4062 1.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6918 1.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6918 1.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9773 1.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9773 1.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4232 -1.5969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4232 -1.5969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2201 -1.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2201 -1.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9972 -1.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9972 -1.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7562 -1.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7562 -1.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1687 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1687 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9937 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9937 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -5.4062 -1.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -5.4062 -1.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.9937 -2.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.9937 -2.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1687 -2.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1687 -2.2383 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 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 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 1 1 0 0 0 0 | + | 10 1 1 0 0 0 0 |
| − | 5 11 1 0 0 0 0 | + | 5 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 7 1 0 0 0 0 | + | 13 7 1 0 0 0 0 |
| − | 11 14 1 0 0 0 0 | + | 11 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 |
| − | 7 18 2 0 0 0 0 | + | 7 18 2 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
| − | 30 25 1 0 0 0 0 | + | 30 25 1 0 0 0 0 |
| − | 3 31 1 0 0 0 0 | + | 3 31 1 0 0 0 0 |
| − | 3 32 1 0 0 0 0 | + | 3 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 2 0 0 0 0 | + | 34 35 2 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 |
| − | 38 39 2 0 0 0 0 | + | 38 39 2 0 0 0 0 |
| − | 39 34 1 0 0 0 0 | + | 39 34 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CA9NC0001 | + | ID FL1CA9NC0001 |
| − | KNApSAcK_ID C00014582 | + | KNApSAcK_ID C00014582 |
| − | NAME Kurzichalcolactone | + | NAME Kurzichalcolactone |
| − | CAS_RN 150813-89-1 | + | CAS_RN 150813-89-1 |
| − | FORMULA C32H30O7 | + | FORMULA C32H30O7 |
| − | EXACTMASS 526.199153314 | + | EXACTMASS 526.199153314 |
| − | AVERAGEMASS 526.5764 | + | AVERAGEMASS 526.5764 |
| − | SMILES c(c5)ccc(c5)C=CC(C3)(OC(C4)CCCC(Oc(c2C34)cc(c(c(O)2)C(C=Cc(c1)cccc1)=O)O)=O)O | + | SMILES c(c5)ccc(c5)C=CC(C3)(OC(C4)CCCC(Oc(c2C34)cc(c(c(O)2)C(C=Cc(c1)cccc1)=O)O)=O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
39 43 0 0 0 0 0 0 0 0999 V2000
-2.4561 0.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4561 -0.6328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7416 -1.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0272 -0.6328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0272 0.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7416 0.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7416 1.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4561 1.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1706 1.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1706 0.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3127 0.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3127 1.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0272 1.8422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4018 0.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1163 0.6047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1163 1.4297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4018 1.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7416 2.2383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7527 1.7971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4018 -0.4846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8681 0.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8681 -0.5054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5768 0.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2897 0.1681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9773 0.5651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6918 0.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4062 0.5651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4062 1.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6918 1.8026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9773 1.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4232 -1.5969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2201 -1.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9972 -1.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7562 -1.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1687 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9937 -0.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4062 -1.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9937 -2.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1687 -2.2383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 1 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 1 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 1 1 0 0 0 0
5 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 7 1 0 0 0 0
11 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
7 18 2 0 0 0 0
16 19 1 0 0 0 0
14 20 1 0 0 0 0
15 21 1 0 0 0 0
21 22 2 0 0 0 0
21 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
30 25 1 0 0 0 0
3 31 1 0 0 0 0
3 32 1 0 0 0 0
32 33 2 0 0 0 0
33 34 1 0 0 0 0
34 35 2 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
38 39 2 0 0 0 0
39 34 1 0 0 0 0
S SKP 8
ID FL1CA9NC0001
KNApSAcK_ID C00014582
NAME Kurzichalcolactone
CAS_RN 150813-89-1
FORMULA C32H30O7
EXACTMASS 526.199153314
AVERAGEMASS 526.5764
SMILES c(c5)ccc(c5)C=CC(C3)(OC(C4)CCCC(Oc(c2C34)cc(c(c(O)2)C(C=Cc(c1)cccc1)=O)O)=O)O
M END
