KNApSAcK Metabolite C00006629
Metabolite
KNApSAcK Entry
| id | C00006629 |
|---|---|
| Name | Fragarin |
| CAS RN | 574-57-2 |
| Standard InChI | InChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/p+1/t16?,17-,18?,19?,21+/m0/s1 |
| Standard InChI (Main Layer) | InChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25) |
Cluster
| Phytochemical cluster | No. 15 |
|---|---|
| KCF-S cluster | No. 2 |
Link
ChEMBL
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| By standard InChI Main Layer |
KEGG
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CTD
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