Mol:FL5FAANP0003
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 30 0 0 0 0 0 0 0 0999 V2000 | + | 27 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7602 -0.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7602 -0.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7698 0.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7698 0.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0702 -1.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0702 -1.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3442 -0.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3442 -0.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3350 0.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3350 0.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0602 0.6280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0602 0.6280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3795 0.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3795 0.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4606 0.6120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4606 0.6120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1888 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1888 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1866 -0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1866 -0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4851 -1.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4851 -1.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4851 -1.8641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4851 -1.8641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0702 -1.8476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0702 -1.8476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3703 -1.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3703 -1.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9171 0.6371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9171 0.6371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0940 0.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0940 0.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8084 0.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8084 0.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8084 1.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8084 1.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0940 1.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0940 1.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3795 1.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3795 1.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5229 0.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5229 0.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2374 0.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2374 0.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2374 1.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2374 1.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5229 1.8641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5229 1.8641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8193 1.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8193 1.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8619 1.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8619 1.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9171 0.2342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9171 0.2342 0.0000 O 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 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 3 13 2 0 0 0 0 | + | 3 13 2 0 0 0 0 |
| − | 4 14 1 0 0 0 0 | + | 4 14 1 0 0 0 0 |
| − | 15 9 1 0 0 0 0 | + | 15 9 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 7 1 0 0 0 0 | + | 20 7 1 0 0 0 0 |
| − | 17 21 1 0 0 0 0 | + | 17 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 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 22 27 1 0 0 0 0 | + | 22 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAANP0003 | + | ID FL5FAANP0003 |
| − | KNApSAcK_ID C00013533 | + | KNApSAcK_ID C00013533 |
| − | NAME Glycyrrhiza flavonol A;2-(3,4-Dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one | + | NAME Glycyrrhiza flavonol A;2-(3,4-Dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one |
| − | CAS_RN 197304-01-1 | + | CAS_RN 197304-01-1 |
| − | FORMULA C20H18O7 | + | FORMULA C20H18O7 |
| − | EXACTMASS 370.10525293 | + | EXACTMASS 370.10525293 |
| − | AVERAGEMASS 370.35272 | + | AVERAGEMASS 370.35272 |
| − | SMILES c(c12)(ccc(C(=C4O)Oc(c3)c(C4=O)c(cc(O)3)O)c2)OC(C)(C)C(O)C1 | + | SMILES c(c12)(ccc(C(=C4O)Oc(c3)c(C4=O)c(cc(O)3)O)c2)OC(C)(C)C(O)C1 |
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 30 0 0 0 0 0 0 0 0999 V2000
-1.7602 -0.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7698 0.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0702 -1.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3442 -0.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3350 0.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0602 0.6280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3795 0.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4606 0.6120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1888 0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1866 -0.6388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4851 -1.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4851 -1.8641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0702 -1.8476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3703 -1.0365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9171 0.6371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0940 0.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8084 0.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8084 1.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0940 1.8641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3795 1.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5229 0.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2374 0.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2374 1.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5229 1.8641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8193 1.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8619 1.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9171 0.2342 0.0000 O 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
11 12 1 0 0 0 0
3 13 2 0 0 0 0
4 14 1 0 0 0 0
15 9 1 0 0 0 0
7 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 7 1 0 0 0 0
17 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 18 1 0 0 0 0
23 25 1 0 0 0 0
23 26 1 0 0 0 0
22 27 1 0 0 0 0
S SKP 8
ID FL5FAANP0003
KNApSAcK_ID C00013533
NAME Glycyrrhiza flavonol A;2-(3,4-Dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one
CAS_RN 197304-01-1
FORMULA C20H18O7
EXACTMASS 370.10525293
AVERAGEMASS 370.35272
SMILES c(c12)(ccc(C(=C4O)Oc(c3)c(C4=O)c(cc(O)3)O)c2)OC(C)(C)C(O)C1
M END
