CHEBI:145784 - sesaminol 2-O-β-D-glucoside

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ChEBI Name sesaminol 2-O-β-D-glucoside
ChEBI ID CHEBI:145784
ChEBI ASCII Name sesaminol 2-O-beta-D-glucoside
Definition A β-D-glucoside that is sesaminol in which the hydroxy group at position 5 is substituted by a β-D-glucopyranoside group. A metabolite found in sesame seeds.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C26H28O12
Net Charge 0
Average Mass 532.498
Monoisotopic Mass 532.15808
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
SMILES C1[C@@]2([H])[C@@](CO[C@@H]2C=3C=CC4=C(C3)OCO4)([H])[C@H](O1)C5=CC6=C(C=C5O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)OCO6
Metabolite of Species Details
Sesamum indicum (NCBI:txid4182) Found in seed (BTO:0001226). See: PubMed
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 β-D-glucoside (CHEBI:22798)
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)
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 Sources
(+)-sesaminol 2-O-β-D-glucoside MetaCyc
sesaminol 2-O-β-D-glucopyranoside ChEBI
Manual Xrefs Databases
CPD-14838 MetaCyc
FDB021108 FooDB
HMDB0041209 HMDB
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Registry Number Type Source
153512-13-1 CAS Registry Number ChEBI
Citations Waiting for Citations Types Sources
15885833 PubMed citation Europe PMC
18248594 PubMed citation Europe PMC
19561332 PubMed citation Europe PMC
22818971 PubMed citation Europe PMC
31654577 PubMed citation Europe PMC
7764592 PubMed citation Europe PMC
Last Modified
10 January 2020