Toblerol E (CHEBI:219686)

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CHEBI:219686 - Toblerol E

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ChEBI ID	CHEBI:219686
ChEBI Name	Toblerol E
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C12H21ClO5
Net Charge	0
Average Mass	280.748
Monoisotopic Mass	280.10775
SMILES	CCC[C@@H](O)[C@@H](Cl)[C@@H](O)C(O)[C@@H]1C[C@H](C)C(=O)O1
InChI	InChI=1S/C12H21ClO5/c1-3-4-7(14)9(13)11(16)10(15)8-5-6(2)12(17)18-8/h6-11,14-16H,3-5H2,1-2H3/t6-,7+,8-,9+,10?,11+/m0/s1
InChIKey	XIQUQANJOXTRNR-QYOMYNGHSA-N

Species of Metabolite	Component	Source	Comments
Methylorubrum extorquens AM1 (ncbitaxon:272630)	-	PubMed (29112783)

ChEBI Ontology

Outgoing Relation(s)
	Toblerol E (CHEBI:219686) is a γ-lactone (CHEBI:37581)

IUPAC Name
(3S,5S)-5-[(2S,3R,4R)-3-chloro-1,2,4-trihydroxyheptyl]-3-methyloxolan-2-one

Manual Xrefs	Databases
78443353	ChemSpider