Coruscol A (CHEBI:214729)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Coruscol A

ChEBI ID	CHEBI:214729

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C8H16O4

Net Charge

Average Mass

176.212

Monoisotopic Mass

176.10486

InChI

InChI=1S/C8H16O4/c1-2-3-8-11-5-6(10)7(4-9)12-8/h6-10H,2-5H2,1H3/t6-,7+,8-/m1/s1

InChIKey

RYJRBBKILQAOIA-GJMOJQLCSA-N

SMILES

O1[C@@H](OC[C@H]([C@@H]1CO)O)CCC

Metabolite of Species	Details
Penicilliumspecies (NCBI:txid5081)	See: PubMed

ChEBI Ontology
Outgoing	Coruscol A (CHEBI:214729) is a dioxanes (CHEBI:46926)

IUPAC Name

(2R,4S,5R)-4-(hydroxymethyl)-2-propyl-1,3-dioxan-5-ol