EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:145784 - sesaminol 2-O-β-D-glucoside
| Formula | C26H28O12 |
| Net Charge | 0 |
| Average Mass | 532.498 |
| Monoisotopic Mass | 532.15808 |
| SMILES | [H][C@]12CO[C@H](c3cc4c(cc3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OCO4)[C@@]1([H])CO[C@@H]2c1ccc2c(c1)OCO2 |
| InChI | InChI=1S/C26H28O12/c27-6-20-21(28)22(29)23(30)26(38-20)37-16-5-19-18(35-10-36-19)4-12(16)25-14-8-31-24(13(14)7-32-25)11-1-2-15-17(3-11)34-9-33-15/h1-5,13-14,20-30H,6-10H2/t13-,14-,20+,21+,22-,23+,24+,25+,26+/m0/s1 |
| InChIKey | HVDZWQPYIXKSCL-LFZZSFSNSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Sesamum indicum (ncbitaxon:4182) | seed (BTO:0001226) | PubMed (18248594) |
| Roles Classification |
|---|
| 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) |
| sesaminol 2-O-β-D-glucoside (CHEBI:145784) has functional parent sesaminol (CHEBI:145778) |
| sesaminol 2-O-β-D-glucoside (CHEBI:145784) has role plant metabolite (CHEBI:76924) |
| sesaminol 2-O-β-D-glucoside (CHEBI:145784) is a benzodioxoles (CHEBI:38298) |
| sesaminol 2-O-β-D-glucoside (CHEBI:145784) is a furofuran (CHEBI:47790) |
| sesaminol 2-O-β-D-glucoside (CHEBI:145784) is a β-D-glucoside (CHEBI:22798) |
| IUPAC Name |
|---|
| 6-[(1S,3aR,4S,6aR)-4-(1,3-benzodioxol-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-1,3-benzodioxol-5-yl β-D-glucopyranoside |
| Synonyms | Source |
|---|---|
| (+)-sesaminol 2-O-β-D-glucoside | MetaCyc |
| sesaminol 2-O-β-D-glucopyranoside | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| CPD-14838 | MetaCyc |
| FDB021108 | FooDB |
| HMDB0041209 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:153512-13-1 | ChEBI |
| Citations |
|---|