arborescin (CHEBI:73226)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	arborescin

ChEBI ID	CHEBI:73226

Definition	An 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.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Steve Jupe

Supplier Information

Download	Molfile XML SDF

more structures >>

Formula

C15H20O3

Net Charge

Average Mass

248.31750

Monoisotopic Mass

248.14124

InChI

InChI=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

InChIKey

CBRKCJOSZHRKFH-UVGOUCATSA-N

SMILES

[H][C@@]12CC[C@]3(C)O[C@@]33CC=C(C)[C@]3([H])[C@H]1OC(=O)[C@H]2C

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.

ChEBI Ontology
Outgoing	arborescin (CHEBI:73226) has functional parent arglabin (CHEBI:73228) arborescin (CHEBI:73226) has role metabolite (CHEBI:25212) arborescin (CHEBI:73226) is a γ-lactone (CHEBI:37581) 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)

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-lactone	SUBMITTER

Last Modified

11 July 2013