Toblerol B (CHEBI:219668)

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CHEBI:219668 - Toblerol B

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ChEBI ID	CHEBI:219668
ChEBI Name	Toblerol B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C13H20O5
Net Charge	0
Average Mass	256.298
Monoisotopic Mass	256.13107
SMILES	CCC[C@@H](O)[C@@H]1O[C@H]1[C@@H]1O[C@@H]1C[C@@H]1C[C@H]1OC=O
InChI	InChI=1S/C13H20O5/c1-2-3-8(15)11-13(18-11)12-10(17-12)5-7-4-9(7)16-6-14/h6-13,15H,2-5H2,1H3/t7-,8+,9+,10+,11-,12+,13+/m0/s1
InChIKey	VEMPCUNTWSJJOU-OOUMKPCDSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	Toblerol B (CHEBI:219668) is a carboxylic ester (CHEBI:33308)

IUPAC Name
[(1R,2S)-2-[[(2R,3R)-3-[(2R,3S)-3-[(1R)-1-hydroxybutyl]oxiran-2-yl]oxiran-2-yl]methyl]cyclopropyl] ormate

Manual Xrefs	Databases
78443350	ChemSpider