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CHEBI:142266 - licoagroside B
| Formula | C18H24O12 |
| Net Charge | 0 |
| Average Mass | 432.378 |
| Monoisotopic Mass | 432.12678 |
| SMILES | Cc1occc(=O)c1O[C@@H]1O[C@H](COC(=O)CC(C)(O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]1O |
| InChI | InChI=1S/C18H24O12/c1-8-16(9(19)3-4-27-8)30-17-15(25)14(24)13(23)10(29-17)7-28-12(22)6-18(2,26)5-11(20)21/h3-4,10,13-15,17,23-26H,5-7H2,1-2H3,(H,20,21)/t10-,13-,14+,15-,17+,18?/m1/s1 |
| InChIKey | WCVUIHQUPRXYKT-RGCIIANRSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Glycyrrhiza glabra (ncbitaxon:49827) | - | PubMed (11140606) | Isolated rom hairy root culture. |
| Ononis arvensis (ncbitaxon:200952) | root (BTO:0001188) | PubMed (30408845) | |
| Herniaria glabra (ncbitaxon:115624) | whole plant (BTO:0001461) | PubMed (29783188) | |
| Helichrysum arenarium (ncbitaxon:261776) | flower (BTO:0000469) | PubMed (19652412) | |
| Genista numidica (ncbitaxon:136801) | aerial part (BTO:0001658) | PubMed (29448823) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| licoagroside B (CHEBI:142266) has functional parent 3-hydroxy-2-methyl-4-pyrone (CHEBI:69438) |
| licoagroside B (CHEBI:142266) has functional parent 3-hydroxy-3-methylglutaric acid (CHEBI:16831) |
| licoagroside B (CHEBI:142266) has functional parent β-D-glucose (CHEBI:15903) |
| licoagroside B (CHEBI:142266) has role plant metabolite (CHEBI:76924) |
| licoagroside B (CHEBI:142266) is a dicarboxylic acid monoester (CHEBI:36244) |
| licoagroside B (CHEBI:142266) is a monosaccharide derivative (CHEBI:63367) |
| licoagroside B (CHEBI:142266) is a tertiary alcohol (CHEBI:26878) |
| licoagroside B (CHEBI:142266) is a β-D-glucoside (CHEBI:22798) |
| IUPAC Name |
|---|
| 2-methyl-4-oxo-4H-pyran-3-yl 6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-β-D-glucopyranoside |
| Synonyms | Source |
|---|---|
| 3-hydroxy-3-methyl-5-oxo-5-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(2-methyl-4-oxopyran-3-yl)oxy]oxan-2-yl]methoxy}pentanoic acid | ChEBI |
| maltol 3-O-[6-O-(3-hydroxy-3-methylglutaroyl)]-β-D-glucopyranoside | ChEBI |
| tachiogroside B | KNApSAcK |
| licoagroside B | HMDB |
| Manual Xrefs | Databases |
|---|---|
| HMDB0036523 | HMDB |
| FDB015423 | FooDB |
| C00019031 | KNApSAcK |
| Registry Numbers | Sources |
|---|---|
| CAS:325144-72-7 | KNApSAcK |
| Citations |
|---|