(5R,7S,8S)-Communiol A (CHEBI:201964)

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CHEBI:201964 - (5R,7S,8S)-Communiol A

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ChEBI ID	CHEBI:201964
ChEBI Name	(5R,7S,8S)-Communiol A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C11H20O4
Net Charge	0
Average Mass	216.277
Monoisotopic Mass	216.13616
SMILES	CC[C@H](O)[C@H]1C[C@H](CCCC(=O)O)CO1
InChI	InChI=1S/C11H20O4/c1-2-9(12)10-6-8(7-15-10)4-3-5-11(13)14/h8-10,12H,2-7H2,1H3,(H,13,14)/t8-,9-,10+/m0/s1
InChIKey	KOGNSOVIFNEWCD-LPEHRKFASA-N

Species of Metabolite	Component	Source	Comments
Podospora communis (ncbitaxon:438773)	-	DOI (10.1016/j.tetlet.2004.07.093)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	(5R,7S,8S)-Communiol A (CHEBI:201964) is a heterocyclic fatty acid (CHEBI:48847)

IUPAC Name
4-[(3S,5R)-5-[(1S)-1-hydroxypropyl]oxolan-3-yl]butanoic acid

Manual Xrefs	Databases
9790204	ChemSpider