KNApSAcK Metabolite C00005948
Metabolite
KNApSAcK Entry
| id | C00005948 |
|---|---|
| Name | Quercetin 3-[6''-(3-hydroxy-3-methylglutaryl)galactoside] |
| CAS RN | 106915-93-9 |
| Standard InChI | InChI=1S/C27H28O16/c1-27(39,7-17(32)33)8-18(34)40-9-16-20(35)22(37)23(38)26(42-16)43-25-21(36)19-14(31)5-11(28)6-15(19)41-24(25)10-2-3-12(29)13(30)4-10/h2-6,16,20,22-23,26,28-31,35,37-39H,7-9H2,1H3,(H,32,33)/t16-,20+,22?,23?,26+,27?/m1/s1 |
| Standard InChI (Main Layer) | InChI=1S/C27H28O16/c1-27(39,7-17(32)33)8-18(34)40-9-16-20(35)22(37)23(38)26(42-16)43-25-21(36)19-14(31)5-11(28)6-15(19)41-24(25)10-2-3-12(29)13(30)4-10/h2-6,16,20,22-23,26,28-31,35,37-39H,7-9H2,1H3,(H,32,33) |
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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