Pestalotin 4′-O-methyl-beta-mannopyranoside (CHEBI:216079)

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CHEBI:216079 - Pestalotin 4′-O-methyl-beta-mannopyranoside

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ChEBI ID	CHEBI:216079
ChEBI Name	Pestalotin 4′-O-methyl-beta-mannopyranoside
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H30O9
Net Charge	0
Average Mass	390.429
Monoisotopic Mass	390.18898
SMILES	CCCC[C@H](O[C@@H]1O[C@H](CO)[C@@H](OC)[C@H](O)[C@@H]1O)[C@@H]1CC(OC)=CC(=O)O1
InChI	InChI=1S/C18H30O9/c1-4-5-6-11(12-7-10(23-2)8-14(20)25-12)26-18-16(22)15(21)17(24-3)13(9-19)27-18/h8,11-13,15-19,21-22H,4-7,9H2,1-3H3/t11-,12-,13+,15+,16-,17+,18+/m0/s1
InChIKey	GFAFERGPIWWHDJ-CYGVFTLASA-N

Species of Metabolite	Component	Source	Comments
Xylaria feejeensis (ncbitaxon:498163)	-	PubMed (25706243)

ChEBI Ontology

Outgoing Relation(s)
	Pestalotin 4′-O-methyl-beta-mannopyranoside (CHEBI:216079) is a O-acyl carbohydrate (CHEBI:52782)

IUPAC Name
(2S)-2-[(1S)-1-[(2R,3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxypentyl]-4-methoxy-2,3-dihydropyran-6-one

Manual Xrefs	Databases
78438631	ChemSpider