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CHEBI:145030 - steviolbioside

ChEBI IDCHEBI:145030
ChEBI Namesteviolbioside
Stars
DefinitionA β-D-glucoside that is steviolmonoside in which the hydroxy group at position 2 of the glucoside moiety has been converted into its β-D-glucoside.
Last Modified10 June 2022
SubmitterGareth Owen
DownloadsMolfile
FormulaC32H50O13
Net Charge0
Average Mass642.739
Monoisotopic Mass642.32514
SMILES[H][C@]12CC[C@]34CC(=C)[C@](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[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
InChIInChI=1S/C32H50O13/c1-15-11-31-9-5-18-29(2,7-4-8-30(18,3)28(40)41)19(31)6-10-32(15,14-31)45-27-25(23(38)21(36)17(13-34)43-27)44-26-24(39)22(37)20(35)16(12-33)42-26/h16-27,33-39H,1,4-14H2,2-3H3,(H,40,41)/t16-,17-,18+,19+,20-,21-,22+,23+,24-,25-,26+,27+,29-,30-,31-,32+/m1/s1
InChIKeyOMHUCGDTACNQEX-OSHKXICASA-N
Species of MetaboliteComponentSourceComments
Stevia rebaudiana (ncbitaxon:55670) - PubMed (17397883)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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.
antitubercular agent  A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis.
Applications:
sweetening agent  Substance that sweeten food, beverages, medications, etc.
antitubercular agent  A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis.
ChEBI Ontology
Outgoing Relation(s)
steviolbioside (CHEBI:145030) has functional parent steviolmonoside (CHEBI:145029)
steviolbioside (CHEBI:145030) has role antitubercular agent (CHEBI:33231)
steviolbioside (CHEBI:145030) has role plant metabolite (CHEBI:76924)
steviolbioside (CHEBI:145030) has role sweetening agent (CHEBI:50505)
steviolbioside (CHEBI:145030) is a ent-kaurane diterpenoid (CHEBI:36760)
steviolbioside (CHEBI:145030) is a bridged compound (CHEBI:35990)
steviolbioside (CHEBI:145030) is a diterpene glycoside (CHEBI:71939)
steviolbioside (CHEBI:145030) is a monocarboxylic acid (CHEBI:25384)
steviolbioside (CHEBI:145030) is a tetracyclic diterpenoid (CHEBI:52557)
steviolbioside (CHEBI:145030) is a β-D-glucoside (CHEBI:22798)
steviolbioside (CHEBI:145030) is conjugate acid of steviolbioside(1−) (CHEBI:145009)
Incoming Relation(s)
steviolbioside(1−) (CHEBI:145009) is conjugate base of steviolbioside (CHEBI:145030)
IUPAC Name 
13α-[(2-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5β,8α,9β,10α-kaur-16-en-18-oic acid
Synonym  Source
(−)-steviolbiosideHMDB
Manual XrefsDatabases
CPD-14503MetaCyc
FDB015643FooDB
HMDB0036707HMDB
C00034696KNApSAcK
DB12434DrugBank
LMPR01040122LIPID MAPS
Registry NumbersSources
CAS:41093-60-1ChemIDplus
Citations