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CHEBI:73226 - arborescin

ChEBI IDCHEBI:73226
ChEBI Namearborescin
Stars
DefinitionAn organic heterotetracyclic compound and guaianolide sesquiterpene lactone that is arglabin in which the exocyclic double bond has been reduced to a single bond. It is found in Artemesia adamsii.
Last Modified11 July 2013
Submittersjupe
DownloadsMolfile
FormulaC15H20O3
Net Charge0
Average Mass248.322
Monoisotopic Mass248.14124
SMILES[H][C@@]12CC[C@]3(C)O[C@@]34CC=C(C)[C@]4([H])[C@H]1OC(=O)[C@H]2C
InChIInChI=1S/C15H20O3/c1-8-4-7-15-11(8)12-10(9(2)13(16)17-12)5-6-14(15,3)18-15/h4,9-12H,5-7H2,1-3H3/t9-,10-,11+,12-,14-,15+/m0/s1
InChIKeyCBRKCJOSZHRKFH-UVGOUCATSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
arborescin (CHEBI:73226) has functional parent arglabin (CHEBI:73228)
arborescin (CHEBI:73226) has role metabolite (CHEBI:25212)
arborescin (CHEBI:73226) is a epoxide (CHEBI:32955)
arborescin (CHEBI:73226) is a organic heterotetracyclic compound (CHEBI:38163)
arborescin (CHEBI:73226) is a sesquiterpene lactone (CHEBI:37667)
arborescin (CHEBI:73226) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(3aR,4aS,6aS,7S,9aS,9bR)-1,4a,7-trimethyl-5,6,6a,7,9a,9b-hexahydro-3H-oxireno[8,8a]azuleno[4,5-b]furan-8(4aH)-one
Synonym  Source
1,10-epoxy-6β-hydroxy-1β,5β,7α-guiai-3-en-12-oic acid γ-lactoneSUBMITTER
Registry NumbersSources
Reaxys:6371068Reaxys
CAS:6831-14-7ChemIDplus
Citations