Mol:FL5FG9NI0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.3644 -1.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3644 -1.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3740 -0.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3740 -0.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2856 -2.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2856 -2.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0360 -1.6741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0360 -1.6741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0671 -0.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0671 -0.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3356 -0.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3356 -0.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7816 -0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7816 -0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0329 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0329 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7818 -0.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7818 -0.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7897 -1.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7897 -1.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0796 -2.0629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0796 -2.0629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2856 -2.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2856 -2.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4968 -0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4968 -0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2154 -0.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2154 -0.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2178 0.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2178 0.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5023 0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5023 0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7878 0.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7878 0.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0796 -2.8879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0796 -2.8879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4962 -0.3838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4962 -0.3838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0329 0.4129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0329 0.4129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7386 0.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7386 0.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5041 -2.0770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5041 -2.0770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7505 -2.0866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7505 -2.0866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4539 -1.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4539 -1.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2178 -1.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2178 -1.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4487 0.4104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4487 0.4104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7386 1.6504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7386 1.6504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4509 2.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4509 2.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4509 2.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4509 2.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0220 2.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0220 2.0642 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 |
| − | 1 3 1 0 0 0 0 | + | 1 3 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 7 5 1 0 0 0 0 | + | 7 5 1 0 0 0 0 |
| − | 2 8 2 0 0 0 0 | + | 2 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 1 2 0 0 0 0 | + | 11 1 2 0 0 0 0 |
| − | 3 12 2 0 0 0 0 | + | 3 12 2 0 0 0 0 |
| − | 7 13 2 0 0 0 0 | + | 7 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 7 1 0 0 0 0 | + | 17 7 1 0 0 0 0 |
| − | 11 18 1 0 0 0 0 | + | 11 18 1 0 0 0 0 |
| − | 9 19 1 0 0 0 0 | + | 9 19 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 10 22 1 0 0 0 0 | + | 10 22 1 0 0 0 0 |
| − | 4 23 1 0 0 0 0 | + | 4 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 21 26 2 0 0 0 0 | + | 21 26 2 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 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 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FG9NI0001 | + | ID FL5FG9NI0001 |
| − | KNApSAcK_ID C00013544 | + | KNApSAcK_ID C00013544 |
| − | NAME (2E)-5,7-Dihydroxy-3,6-dimethoxy-4-oxo-2-phenyl-4H-1-benzopyran-8-yl ester 2-methyl-2-butenoic acid | + | NAME (2E)-5,7-Dihydroxy-3,6-dimethoxy-4-oxo-2-phenyl-4H-1-benzopyran-8-yl ester 2-methyl-2-butenoic acid |
| − | CAS_RN 221231-21-6 | + | CAS_RN 221231-21-6 |
| − | FORMULA C22H20O8 | + | FORMULA C22H20O8 |
| − | EXACTMASS 412.11581761599996 | + | EXACTMASS 412.11581761599996 |
| − | AVERAGEMASS 412.3894 | + | AVERAGEMASS 412.3894 |
| − | SMILES COc(c1O)c(O)c(C(=O)2)c(OC(c(c3)cccc3)=C(OC)2)c(OC(C(C)=CC)=O)1 | + | SMILES COc(c1O)c(O)c(C(=O)2)c(OC(c(c3)cccc3)=C(OC)2)c(OC(C(C)=CC)=O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 32 0 0 0 0 0 0 0 0999 V2000
-0.3644 -1.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3740 -0.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2856 -2.0464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0360 -1.6741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0671 -0.8207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3356 -0.3958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7816 -0.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0329 -0.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7818 -0.7963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7897 -1.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0796 -2.0629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2856 -2.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4968 -0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2154 -0.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2178 0.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5023 0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7878 0.4058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0796 -2.8879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4962 -0.3838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0329 0.4129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7386 0.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5041 -2.0770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7505 -2.0866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4539 -1.6804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2178 -1.6649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4487 0.4104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7386 1.6504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4509 2.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4509 2.8879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0220 2.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 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 2 1 0 0 0 0
7 5 1 0 0 0 0
2 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 1 2 0 0 0 0
3 12 2 0 0 0 0
7 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 17 2 0 0 0 0
17 7 1 0 0 0 0
11 18 1 0 0 0 0
9 19 1 0 0 0 0
8 20 1 0 0 0 0
20 21 1 0 0 0 0
10 22 1 0 0 0 0
4 23 1 0 0 0 0
23 24 1 0 0 0 0
22 25 1 0 0 0 0
21 26 2 0 0 0 0
21 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
27 30 1 0 0 0 0
S SKP 8
ID FL5FG9NI0001
KNApSAcK_ID C00013544
NAME (2E)-5,7-Dihydroxy-3,6-dimethoxy-4-oxo-2-phenyl-4H-1-benzopyran-8-yl ester 2-methyl-2-butenoic acid
CAS_RN 221231-21-6
FORMULA C22H20O8
EXACTMASS 412.11581761599996
AVERAGEMASS 412.3894
SMILES COc(c1O)c(O)c(C(=O)2)c(OC(c(c3)cccc3)=C(OC)2)c(OC(C(C)=CC)=O)1
M END
