Mol:FL2FA9NC0017
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 39 44 0 0 0 0 0 0 0 0999 V2000 | + | 39 44 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.1471 1.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1471 1.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5655 2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5655 2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1439 0.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1439 0.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5728 0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5728 0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2855 0.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2855 0.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2818 1.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2818 1.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0018 0.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0018 0.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7144 0.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7144 0.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7107 1.6220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7107 1.6220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9945 2.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9945 2.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3645 2.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3645 2.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0806 1.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0806 1.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7935 2.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7935 2.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7903 2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7903 2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0742 3.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0742 3.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3613 2.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3613 2.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0028 -0.2619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0028 -0.2619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5740 -0.3303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5740 -0.3303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8632 2.0191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8632 2.0191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5760 1.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5760 1.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5760 0.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5760 0.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8632 0.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8632 0.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2905 2.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2905 2.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0050 1.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0050 1.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0050 0.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0050 0.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2905 0.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2905 0.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2873 -0.4476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2873 -0.4476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5760 -0.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5760 -0.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8632 -0.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8632 -0.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5760 2.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5760 2.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2431 -1.4341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2431 -1.4341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1639 -1.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1639 -1.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9957 -1.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9957 -1.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4132 -1.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4132 -1.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2101 -1.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2101 -1.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7935 -2.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7935 -2.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.5799 -3.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5799 -3.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7830 -3.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7830 -3.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1997 -2.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1997 -2.6597 0.0000 C 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 |
| − | 1 3 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 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 6 1 0 0 0 0 | + | 10 6 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 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 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 3 1 0 0 0 0 | + | 22 3 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 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 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 22 1 0 0 0 0 | + | 29 22 1 0 0 0 0 |
| − | 20 30 2 0 0 0 0 | + | 20 30 2 0 0 0 0 |
| − | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
| − | 28 32 1 0 0 0 0 | + | 28 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 FL2FA9NC0017 | + | ID FL2FA9NC0017 |
| − | KNApSAcK_ID C00014300 | + | KNApSAcK_ID C00014300 |
| − | NAME Kurziflavolactone D;(6R,8R,10R,14S)-rel-(-)-3,4,5,6,9,10,13,14-Octahydro-8,11-dihydroxy-14-phenyl-8-[(1E)-2-phenylethenyl]-6,10-methano-2H,8H,12H-pyrano[3,2-m]-1,7-benzodioxacyclododecin-2,12-dione | + | NAME Kurziflavolactone D;(6R,8R,10R,14S)-rel-(-)-3,4,5,6,9,10,13,14-Octahydro-8,11-dihydroxy-14-phenyl-8-[(1E)-2-phenylethenyl]-6,10-methano-2H,8H,12H-pyrano[3,2-m]-1,7-benzodioxacyclododecin-2,12-dione |
| − | CAS_RN 150852-77-0 | + | CAS_RN 150852-77-0 |
| − | FORMULA C32H30O7 | + | FORMULA C32H30O7 |
| − | EXACTMASS 526.199153314 | + | EXACTMASS 526.199153314 |
| − | AVERAGEMASS 526.5764 | + | AVERAGEMASS 526.5764 |
| − | SMILES C(C3=O)CCC(O1)CC(c(c4O)c(cc(O5)c(C(=O)CC(c(c6)cccc6)5)4)O3)CC1(C=Cc(c2)cccc2)O | + | SMILES C(C3=O)CCC(O1)CC(c(c4O)c(cc(O5)c(C(=O)CC(c(c6)cccc6)5)4)O3)CC1(C=Cc(c2)cccc2)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
39 44 0 0 0 0 0 0 0 0999 V2000
-0.1471 1.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5655 2.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1439 0.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5728 0.3750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2855 0.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2818 1.6157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0018 0.3813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7144 0.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7107 1.6220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9945 2.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3645 2.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0806 1.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7935 2.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7903 2.8333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0742 3.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3613 2.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0028 -0.2619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5740 -0.3303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8632 2.0191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5760 1.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5760 0.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8632 0.3746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2905 2.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0050 1.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0050 0.7843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2905 0.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2873 -0.4476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5760 -0.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8632 -0.4476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5760 2.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2431 -1.4341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1639 -1.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9957 -1.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4132 -1.8628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2101 -1.6493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7935 -2.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5799 -3.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7830 -3.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1997 -2.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 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 6 1 0 0 0 0
9 11 1 0 0 0 0
11 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 11 1 0 0 0 0
7 17 2 0 0 0 0
4 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
21 22 1 0 0 0 0
22 3 1 0 0 0 0
20 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 22 1 0 0 0 0
20 30 2 0 0 0 0
28 31 1 0 0 0 0
28 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 FL2FA9NC0017
KNApSAcK_ID C00014300
NAME Kurziflavolactone D;(6R,8R,10R,14S)-rel-(-)-3,4,5,6,9,10,13,14-Octahydro-8,11-dihydroxy-14-phenyl-8-[(1E)-2-phenylethenyl]-6,10-methano-2H,8H,12H-pyrano[3,2-m]-1,7-benzodioxacyclododecin-2,12-dione
CAS_RN 150852-77-0
FORMULA C32H30O7
EXACTMASS 526.199153314
AVERAGEMASS 526.5764
SMILES C(C3=O)CCC(O1)CC(c(c4O)c(cc(O5)c(C(=O)CC(c(c6)cccc6)5)4)O3)CC1(C=Cc(c2)cccc2)O
M END
