KNApSAcK Metabolite C00004106
Metabolite
KNApSAcK Entry
| id | C00004106 |
|---|---|
| Name | KB 3 / Artonin E / 5-Hydroxy-8,8-dimethyl-3-(3-methyl-2-butenyl)-2-(2,4,5-trihydroxyphenyl)-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one |
| CAS RN | 129683-93-8 |
| Standard InChI | InChI=1S/C25H24O7/c1-12(2)5-6-14-22(30)21-19(29)11-20-13(7-8-25(3,4)32-20)24(21)31-23(14)15-9-17(27)18(28)10-16(15)26/h5,7-11,26-29H,6H2,1-4H3 |
| Standard InChI (Main Layer) | InChI=1S/C25H24O7/c1-12(2)5-6-14-22(30)21-19(29)11-20-13(7-8-25(3,4)32-20)24(21)31-23(14)15-9-17(27)18(28)10-16(15)26/h5,7-11,26-29H,6H2,1-4H3 |
Cluster
| Phytochemical cluster | No. 15 |
|---|---|
| KCF-S cluster | No. 18 |
Link
ChEMBL
| By standard InChI | CHEMBL463106 |
|---|---|
| By standard InChI Main Layer | CHEMBL463106 |
KEGG
| By LinkDB |
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CTD
| By CAS RN | C066727 |
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