(6S,7R,9R)-6,7-dihydroxy-9-propylnon-4-eno-9-lactone (CHEBI:212534)

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CHEBI:212534 - (6S,7R,9R)-6,7-dihydroxy-9-propylnon-4-eno-9-lactone

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ChEBI ID	CHEBI:212534
ChEBI Name	(6S,7R,9R)-6,7-dihydroxy-9-propylnon-4-eno-9-lactone
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Submitter	MetaboLights
Downloads	Molfile

Formula	C12H20O4
Net Charge	0
Average Mass	228.288
Monoisotopic Mass	228.13616
SMILES	CCC[C@@H]1C[C@@H](O)[C@@H](O)/C=C\CCC(=O)O1
InChI	InChI=1S/C12H20O4/c1-2-5-9-8-11(14)10(13)6-3-4-7-12(15)16-9/h3,6,9-11,13-14H,2,4-5,7-8H2,1H3/b6-3-/t9-,10+,11-/m1/s1
InChIKey	OGGQXAHFTKUSHF-MQZCMQEASA-N

Species of Metabolite	Component	Source	Comments
Phomopsisspecies HCCB03520 (ncbitaxon:1050180)	-	PubMed (22344916)

ChEBI Ontology

Outgoing Relation(s)
	(6S,7R,9R)-6,7-dihydroxy-9-propylnon-4-eno-9-lactone (CHEBI:212534) is a oxacycle (CHEBI:38104)

IUPAC Name
(2R,4R,5S,6Z)-4,5-dihydroxy-2-propyl-2,3,4,5,8,9-hexahydrooxecin-10-one

Manual Xrefs	Databases
32033853	ChemSpider