CHEBI:89598 - Theaspirane

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Theaspirane
ChEBI ID CHEBI:89598
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C13H22O
Net Charge 0
Average Mass 194.314
Monoisotopic Mass 194.167
InChI InChI=1S/C13H22O/c1-10-6-5-8-12(3,4)13(10)9-7-11(2)14-13/h6,11H,5,7-9H2,1-4H3
InChIKey GYUZHTWCNKINPY-UHFFFAOYSA-N
SMILES CC1=CCCC(C)(C)C21CCC(C)O2
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed
ChEBI Ontology
Outgoing Theaspirane (CHEBI:89598) is a monoterpene (CHEBI:35187)
IUPAC Name
2,6,10,10-tetramethyl-1-oxaspiro[4.5]dec-6-ene
Synonyms Sources
(+/-)-theaspirane HMDB
1-Oxaspiro-2,6,10,10-tetramethyl(4.5)dec-6-ene HMDB
2,6,10,10-Tetramethyl-1-oxa-spiro[4.5]dec-6-ene HMDB
2,6,10,10-Tetramethyl-1-Oxaspiro(4.5)dec-6-ene HMDB
2,6,10,10-Tetramethyl-1-oxaspiro(4.5)dec-6-ene HMDB
2,6,10,10-Tetramethyl-1-oxaspiro[4.5]dec-6-ene HMDB
2,6,10,10-Tetramethyl-1-oxaspiro[4.5]dec-6-ene, 9CI HMDB
2,6,10,10-tetramethyl-oxa-spiro-dec-6-ene HMDB
6,9-Epoxy-4-megastigmene HMDB
Cis-theaspirane HMDB
FEMA 3774 HMDB
Theaspirane (Isomer 1) HMDB
Theaspirane (Isomer 2) HMDB
Theaspirane a HMDB
Theaspirane b HMDB
Theaspirane is I HMDB
Theaspirane is II HMDB
Theaspirane, I HMDB
Theaspirane, II HMDB
Database Link Database
HMDB0036823 HMDB
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Registry Number Type Source
36431-72-8 CAS Registry Number KEGG COMPOUND
Citation Waiting for Citations Type Source
24023812 PubMed citation Europe PMC