sesaminol 2-O-beta-D-gentiobioside (CHEBI:145785)

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

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ChEBI ID	CHEBI:145785
ChEBI Name	sesaminol 2-O-β-D-gentiobioside
Stars
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.
Last Modified	10 January 2020
Submitter	Adnan
Downloads	Molfile

Formula	C32H38O17
Net Charge	0
Average Mass	694.639
Monoisotopic Mass	694.21090
SMILES	[H][C@]12CO[C@H](c3cc4c(cc3O[C@@H]3O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]3O)OCO4)[C@@]1([H])CO[C@@H]2c1ccc2c(c1)OCO2
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

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-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	Source
(+)-sesaminol 2-O-β-D-gentiobioside	MetaCyc
(+)-sesaminol 2-O-β-D-glucosyl (1→6)-O-β-D-glucoside	MetaCyc

Manual Xrefs	Databases
CPD-14839	MetaCyc

Citations