CHEBI:206306 - 3,6,7-Tri-epi-invictolide

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 3,6,7-Tri-epi-invictolide
ChEBI ID CHEBI:206306
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C12H22O2
Net Charge 0
Average Mass 198.306
Monoisotopic Mass 198.16198
InChI InChI=1S/C12H22O2/c1-5-6-8(2)11-9(3)7-10(4)12(13)14-11/h8-11H,5-7H2,1-4H3/t8-,9+,10-,11+/m0/s1
InChIKey AZBHSLUQWMFDHU-ZRUFSTJUSA-N
SMILES O=C1O[C@@H]([C@H](C)C[C@@H]1C)[C@H](CCC)C
Metabolite of Species Details
Actinomyces (NCBI:txid1654) See: PubMed
ChEBI Ontology
Outgoing 3,6,7-Tri-epi-invictolide (CHEBI:206306) is a δ-lactone (CHEBI:18946)
IUPAC Name
(3S,5R,6R)-3,5-dimethyl-6-[(2S)-pentan-2-yl]oxan-2-one
Manual Xref Database
27022354 ChemSpider
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