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CHEBI:229537 - rebaudioside B
| Formula | C38H60O18 |
| Net Charge | 0 |
| Average Mass | 804.880 |
| Monoisotopic Mass | 804.37797 |
| SMILES | [H][C@]12CC[C@]34CC(=C)[C@](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)(CC[C@@]3([H])[C@]1(C)CCC[C@@]2(C)C(=O)O)C4 |
| InChI | InChI=1S/C38H60O18/c1-16-11-37-9-5-20-35(2,7-4-8-36(20,3)34(49)50)21(37)6-10-38(16,15-37)56-33-30(55-32-28(48)26(46)23(43)18(13-40)52-32)29(24(44)19(14-41)53-33)54-31-27(47)25(45)22(42)17(12-39)51-31/h17-33,39-48H,1,4-15H2,2-3H3,(H,49,50)/t17-,18-,19-,20+,21+,22-,23-,24-,25+,26+,27-,28-,29+,30-,31+,32+,33+,35-,36-,37-,38+/m1/s1 |
| InChIKey | DRSKVOAJKLUMCL-MMUIXFKXSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | MetaboLights (MTBLS8090) | |
| Stevia rebaudiana (ncbitaxon:55670) | - | PubMed (23203115) |
| Roles Classification |
|---|
| Biological Roles: | sweetening agent Substance that sweeten food, beverages, medications, etc. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. sweetening agent Substance that sweeten food, beverages, medications, etc. sweetening agent Substance that sweeten food, beverages, medications, etc. |
| Applications: | sweetening agent Substance that sweeten food, beverages, medications, etc. sweetening agent Substance that sweeten food, beverages, medications, etc. sweetening agent Substance that sweeten food, beverages, medications, etc. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| rebaudioside B (CHEBI:229537) has functional parent β-D-Glcp-(1→2)-[β-D-Glcp-(1→3)]-β-D-Glcp (CHEBI:146806) |
| rebaudioside B (CHEBI:229537) has role sweetening agent (CHEBI:50505) |
| rebaudioside B (CHEBI:229537) is a rebaudioside (CHEBI:145023) |
| rebaudioside B (CHEBI:229537) is a trisaccharide derivative (CHEBI:63571) |
| rebaudioside B (CHEBI:229537) is a β-D-glucoside (CHEBI:22798) |
| rebaudioside B (CHEBI:229537) is conjugate acid of rebaudioside B(1−) (CHEBI:145013) |
| Incoming Relation(s) |
| rebaudioside B(1−) (CHEBI:145013) is conjugate base of rebaudioside B (CHEBI:229537) |
| IUPAC Name |
|---|
| 13α-{[β-D-glucopyranosyl-(1→2)-[β-D-glucopyranosyl-(1→3)]-β-D-glucopyranosyl]oxy}-5β,8α,9β,10α-kaur-16-en-18-oic acid |
| Synonyms | Source |
|---|---|
| 13α-{[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-yl]oxy}-5β,8α,9β,10α-kaur-16-en-18-oic acid | IUPAC |
| (4α)-13-[(O-β-D-Glucopyranosyl-(1→2)-O-[β-D-glucopyranosyl-(1→3)]-β-D-glucopyranosyl)oxy]kaur-16-en-18-oic acid | ChEBI |
| Reb B | ChEBI |
| stevioside a4 | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| LMPR01040125 | LIPID MAPS |
| FDB013542 | FooDB |
| C00057458 | KNApSAcK |
| HMDB0034949 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:58543-17-2 | KNApSAcK |
| Citations |
|---|