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CHEBI:229720 - solasodine 3-β-D-glucoside
| Formula | C33H53NO7 |
| Net Charge | 0 |
| Average Mass | 575.787 |
| Monoisotopic Mass | 575.38220 |
| SMILES | [H][C@@]12CC=C3C[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])C[C@]2([H])O[C@]3(CC[C@@H](C)CN3)[C@@H](C)[C@]12[H] |
| InChI | InChI=1S/C33H53NO7/c1-17-7-12-33(34-15-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(38)28(37)27(36)25(16-35)40-30/h5,17-18,20-30,34-38H,6-16H2,1-4H3/t17-,18+,20+,21-,22+,23+,24+,25-,26+,27-,28+,29-,30-,31+,32+,33-/m1/s1 |
| InChIKey | XMLLJGHZPHTUKK-GAMIEDRGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Solanum nigrum (ncbitaxon:4112) | - | PubMed (23229144) |
| Roles Classification |
|---|
| Biological Roles: | antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. 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) |
| solasodine 3-β-D-glucoside (CHEBI:229720) has functional parent solasodine (CHEBI:9190) |
| solasodine 3-β-D-glucoside (CHEBI:229720) has role antifungal agent (CHEBI:35718) |
| solasodine 3-β-D-glucoside (CHEBI:229720) has role plant metabolite (CHEBI:76924) |
| solasodine 3-β-D-glucoside (CHEBI:229720) is a monosaccharide derivative (CHEBI:63367) |
| solasodine 3-β-D-glucoside (CHEBI:229720) is a sterol 3-β-D-glucoside (CHEBI:37424) |
| solasodine 3-β-D-glucoside (CHEBI:229720) is conjugate base of solasodine 3-β-D-glucoside(1+) (CHEBI:145042) |
| Incoming Relation(s) |
| solasodine 3-β-D-glucoside(1+) (CHEBI:145042) is conjugate acid of solasodine 3-β-D-glucoside (CHEBI:229720) |
| IUPAC Name |
|---|
| (25R)-22α-spirosol-5-en-3β-yl β-D-glucopyranoside |
| Synonyms | Source |
|---|---|
| [(22R,25R)-spirosola-5-ene-3β-yl]β-D-glucopyranoside | ChEBI |
| γ-solamargine | ChEBI |
| (25R)-3β-(O-β-D-glucopyranosyl)-22α-spirosol-5-ene | ChEBI |
| (3β,22α,25R)-spirosol-5-en-3-yl β-D-glucopyranoside | ChEBI |
| solasodine 3-glucoside | ChEBI |
| Registry Numbers | Sources |
|---|---|
| CAS:14197-65-0 | ChEBI |
| Citations |
|---|