Globosumoside B (CHEBI:214378)

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CHEBI:214378 - Globosumoside B

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ChEBI ID	CHEBI:214378
ChEBI Name	Globosumoside B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H25ClO9
Net Charge	0
Average Mass	420.842
Monoisotopic Mass	420.11871
SMILES	CCCc1c(Cl)c(OC)cc(O)c1O[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]1O
InChI	InChI=1S/C18H25ClO9/c1-4-5-9-13(19)11(25-3)6-10(21)17(9)28-18-16(24)15(23)14(22)12(27-18)7-26-8(2)20/h6,12,14-16,18,21-24H,4-5,7H2,1-3H3/t12-,14-,15+,16-,18+/m1/s1
InChIKey	NTEZYMKIQJSWPQ-NDOBWRGRSA-N

Species of Metabolite	Component	Source	Comments
Chaetomium elatum (ncbitaxon:5150)	-	PubMed (22890540)

ChEBI Ontology

Outgoing Relation(s)
	Globosumoside B (CHEBI:214378) is a glycoside (CHEBI:24400)

IUPAC Name
[(2R,3S,4S,5R,6S)-6-(3-chloro-6-hydroxy-4-methoxy-2-propylphenoxy)-3,4,5-trihydroxyoxan-2-yl]methyl acetate

Manual Xrefs	Databases
78441332	ChemSpider