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CHEBI:68918 - khekadaengoside K
| Formula | C30H42O10 |
| Net Charge | 0 |
| Average Mass | 562.656 |
| Monoisotopic Mass | 562.27780 |
| SMILES | [H][C@@]12CC=C3C(C)(C)C(=O)C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C[C@@]3([H])[C@]1(C)C(=O)C[C@]1(C)[C@@H](C(C)=O)[C@H](O)C[C@@]21C |
| InChI | InChI=1S/C30H42O10/c1-13(32)21-16(33)10-28(4)19-8-7-14-15(30(19,6)20(34)11-29(21,28)5)9-17(25(38)27(14,2)3)39-26-24(37)23(36)22(35)18(12-31)40-26/h7,9,15-16,18-19,21-24,26,31,33,35-37H,8,10-12H2,1-6H3/t15-,16-,18-,19+,21+,22-,23+,24-,26-,28+,29-,30+/m1/s1 |
| InChIKey | ZRNZYSQTUUUEOQ-ZCDXCMHTSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Machilus yaoshansis (ncbitaxon:251260) | root (BTO:0001188) | PubMed (22044245) | Ethanolic extract of air-dried and powdered roots |
| Roles Classification |
|---|
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| khekadaengoside K (CHEBI:68918) has role plant metabolite (CHEBI:76924) |
| khekadaengoside K (CHEBI:68918) is a methyl ketone (CHEBI:51867) |
| khekadaengoside K (CHEBI:68918) is a monosaccharide derivative (CHEBI:63367) |
| khekadaengoside K (CHEBI:68918) is a tetracyclic triterpenoid (CHEBI:26893) |
| khekadaengoside K (CHEBI:68918) is a triterpenoid saponin (CHEBI:61778) |
| khekadaengoside K (CHEBI:68918) is a β-D-glucoside (CHEBI:22798) |
| IUPAC Name |
|---|
| (4R,9β,16α)-16-hydroxy-9,10,14-trimethyl-1,11,20-trioxo-4,9-cyclo-9,10-secopregna-2,5-dien-2-yl β-D-glucopyranoside |
| Synonym | Source |
|---|---|
| 2,16-dihydroxy-22,23,24,25,26,27-hexanorcucurbit-5-ene-11,20-dione 2-O-β-glucopyranoside | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:6993577 | Reaxys |
| Citations |
|---|