CHEBI:71547 - dihydroagarofuran

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name dihydroagarofuran
ChEBI ID CHEBI:71547
Definition A eudesmane sesquiterpenoid that is octahydro-2H-3,9a-methano-1-benzoxepine substituted by methyl groups at positions 2, 2, 5a and 9 (the 3R,5aS,9R,9aS stereoisomer).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C15H26O
Net Charge 0
Average Mass 222.36630
Monoisotopic Mass 222.19837
InChI InChI=1S/C15H26O/c1-11-6-5-8-14(4)9-7-12-10-15(11,14)16-13(12,2)3/h11-12H,5-10H2,1-4H3/t11-,12-,14+,15+/m1/s1
InChIKey HVAVUZLEYSAYGE-UXOAXIEHSA-N
SMILES [H][C@@]12CC[C@]3(C)CCC[C@@H](C)[C@]3(C1)OC2(C)C
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing dihydroagarofuran (CHEBI:71547) has role metabolite (CHEBI:25212)
dihydroagarofuran (CHEBI:71547) is a bridged compound (CHEBI:35990)
dihydroagarofuran (CHEBI:71547) is a cyclic ether (CHEBI:37407)
dihydroagarofuran (CHEBI:71547) is a eudesmane sesquiterpenoid (CHEBI:62508)
dihydroagarofuran (CHEBI:71547) is a organic heterotricyclic compound (CHEBI:26979)
Incoming dihydroagarofuran sesquiterpenoid (CHEBI:71548) has parent hydride dihydroagarofuran (CHEBI:71547)
IUPAC Name
(3R,5aS,9R,9aS)-2,2,5a,9-tetramethyloctahydro-2H-3,9a-methano-1-benzoxepine
Synonym Source
dihydro-β-agarofuran ChEBI
Registry Number Type Source
1423249 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
16901807 PubMed citation Europe PMC
Last Modified
08 January 2013