CHEBI:145785 - sesaminol 2-O-β-D-gentiobioside

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ChEBI Name sesaminol 2-O-β-D-gentiobioside
ChEBI ID CHEBI:145785
ChEBI ASCII Name sesaminol 2-O-beta-D-gentiobioside
Definition A disaccharide derivative that is sesaminol in which the hydroxy group at position 5 has been substituted by a 6-O-β-D-glucopyranosyl-β-D-glucopyranoside group. It is a metabolite found in sesame seeds.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C32H38O17
Net Charge 0
Average Mass 694.639
Monoisotopic Mass 694.21090
InChI InChI=1S/C32H38O17/c33-6-21-23(34)25(36)27(38)31(48-21)42-9-22-24(35)26(37)28(39)32(49-22)47-17-5-20-19(45-11-46-20)4-13(17)30-15-8-40-29(14(15)7-41-30)12-1-2-16-18(3-12)44-10-43-16/h1-5,14-15,21-39H,6-11H2/t14-,15-,21+,22+,23+,24+,25-,26-,27+,28+,29+,30+,31+,32+/m0/s1
InChIKey YIGQNWGFLQZODP-SFMWUWOUSA-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[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)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-gentiobioside (CHEBI:145785) has functional parent sesaminol (CHEBI:145778)
sesaminol 2-O-β-D-gentiobioside (CHEBI:145785) has role plant metabolite (CHEBI:76924)
sesaminol 2-O-β-D-gentiobioside (CHEBI:145785) is a benzodioxoles (CHEBI:38298)
sesaminol 2-O-β-D-gentiobioside (CHEBI:145785) is a disaccharide derivative (CHEBI:63353)
sesaminol 2-O-β-D-gentiobioside (CHEBI:145785) is a furofuran (CHEBI:47790)
sesaminol 2-O-β-D-gentiobioside (CHEBI:145785) is a gentiobioside (CHEBI:24215)
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 6-O-β-D-glucopyranosyl-β-D-glucopyranoside
Synonyms Sources
(+)-sesaminol 2-O-β-D-gentiobioside MetaCyc
(+)-sesaminol 2-O-β-D-glucosyl (1→6)-O-β-D-glucoside MetaCyc
Manual Xref Database
CPD-14839 MetaCyc
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Citations Waiting for Citations Types Sources
18248594 PubMed citation Europe PMC
19561332 PubMed citation Europe PMC
Last Modified
10 January 2020