3-epi-aureonitol (CHEBI:217178)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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	3-epi-aureonitol

ChEBI ID	CHEBI:217178

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H18O2

Net Charge

Average Mass

206.285

Monoisotopic Mass

206.13068

InChI

InChI=1S/C13H18O2/c1-3-5-7-8-11-10-15-12(13(11)14)9-6-4-2/h3-9,11-14H,2,10H2,1H3/b5-3+,8-7+,9-6+/t11-,12-,13+/m1/s1

InChIKey

DTLKTHCXEMHTIQ-JQRIKDBKSA-N

SMILES

O1[C@H](/C=C/C=C)[C@@H](O)[C@@H](C1)/C=C/C=C/C

Metabolite of Species	Details
Chaetomiumspecies (NCBI:txid1769349)	See: DOI

ChEBI Ontology
Outgoing	3-epi-aureonitol (CHEBI:217178) is a oxolanes (CHEBI:26912)

IUPAC Name

(2R,3S,4R)-2-[(1E)-buta-1,3-dienyl]-4-[(1E,3E)-penta-1,3-dienyl]oxolan-3-ol