A-79197-3 (CHEBI:216540)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:216540 - A-79197-3

Take structure to advanced search

ChEBI ID	CHEBI:216540
ChEBI Name	A-79197-3
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C19H32O15
Net Charge	0
Average Mass	500.450
Monoisotopic Mass	500.17412
SMILES	OCC1=CC(O)C(O)C(O)C1OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O
InChI	InChI=1S/C19H32O15/c20-2-5-1-6(23)9(24)12(27)16(5)33-19-15(30)13(28)17(8(4-22)32-19)34-18-14(29)11(26)10(25)7(3-21)31-18/h1,6-30H,2-4H2
InChIKey	HPBWCLJPICTZJU-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Dactylosporangium (ncbitaxon:35753)	-	DOI (10.3209/saj.16_14)

ChEBI Ontology

Outgoing Relation(s)
	A-79197-3 (CHEBI:216540) is a glycoside (CHEBI:24400)

IUPAC Name
2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Manual Xrefs	Databases
78444180	ChemSpider