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CHEBI:228360 - zonarene

ChEBI IDCHEBI:228360
ChEBI Namezonarene
Stars
DefinitionA sesquiterpene that is 1,2,3,7,8,8a-hexahydronaphthalene which is substituted at positions 1 and 6 by methyl groups and at position 4 by an isopropyl group (the 1S-isomer).
Last Modified11 January 2024
SubmitterMilana99
DownloadsMolfile
FormulaC15H24
Net Charge0
Average Mass204.357
Monoisotopic Mass204.18780
SMILESCC1=CC2=C(C(C)C)CC[C@H](C)C2CC1
InChIInChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,12,14H,5-8H2,1-4H3/t12-,14?/m0/s1
InChIKeyFIAKMTRUEKZMNO-NBFOIZRFSA-N
Species of MetaboliteComponentSourceComments
Daldinia eschscholtzii (ncbitaxon:292717) - PubMed (33959421) Strain: MFLUCC 19-049
Orthosiphon pallidus (IPNI:453550-1) aerial part (BTO:0001658) PubMed (30600707)
Neomitranthes obscura (IPNI:961848-1) leaf (BTO:0000713) PubMed (36909200)
Myrciaria floribunda (IPNI:599327-1) leaf (BTO:0000713) PubMed (37630195)
Roles Classification
Biological Roles:
fungal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
volatile oil component  Any plant metabolite that is found naturally as a component of a volatile oil.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
zonarene (CHEBI:228360) has role fungal metabolite (CHEBI:76946)
zonarene (CHEBI:228360) has role plant metabolite (CHEBI:76924)
zonarene (CHEBI:228360) has role volatile oil component (CHEBI:27311)
zonarene (CHEBI:228360) is a hexahydronaphthalenes (CHEBI:142348)
zonarene (CHEBI:228360) is a sesquiterpene (CHEBI:35189)
IUPAC Name 
(1S)-1,6-dimethyl-4-(propan-2-yl)-1,2,3,7,8,8a-hexahydronaphthalene
Manual XrefsDatabases
FDB007234FooDB
HMDB0303004HMDB
C00032554KNApSAcK
Citations