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CHEBI:172925 - β-acoradiene
| Formula | C15H24 |
| Net Charge | 0 |
| Average Mass | 204.357 |
| Monoisotopic Mass | 204.18780 |
| SMILES | C=C(C)[C@@H]1CC[C@@H](C)[C@@]12CC=C(C)CC2 |
| InChI | InChI=1S/C15H24/c1-11(2)14-6-5-13(4)15(14)9-7-12(3)8-10-15/h7,13-14H,1,5-6,8-10H2,2-4H3/t13-,14+,15+/m1/s1 |
| InChIKey | DVBSKQAFCDJNSL-ILXRZTDVSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Casearia sylvestris (ncbitaxon:112817) | leaf (BTO:0000713) | PubMed (15994044) | |
| Juniperus rigida (ncbitaxon:99809) | - | Article (Book: Dictionary of natural products, volume 1 A-C, Chapman & Hall, page 57, A-00310.) | |
| Acorus calamus (ncbitaxon:4465) | - | PubMed (28348970) | |
| Kielmeyera coriacea (ncbitaxon:639202) | bark (BTO:0001301) | PubMed (25960759) | |
| Chaerophyllum macropodum (ncbitaxon:109103) | - | DOI (10.1080/0972060X.2017.1354725) | |
| Plinia cerrocampanensis (IPNI:60437850-2) | leaf (BTO:0000713) | DOI (10.1186/1475-2875-13-18) | |
| Helichrysum italicum (ncbitaxon:261786) | - | PubMed (25675145) |
| Roles Classification |
|---|
| Biological Role: | volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| β-acoradiene (CHEBI:172925) has role volatile oil component (CHEBI:27311) |
| β-acoradiene (CHEBI:172925) is a sesquiterpene (CHEBI:35189) |
| β-acoradiene (CHEBI:172925) is a spiro compound (CHEBI:33599) |
| IUPAC Name |
|---|
| (1R,4S,5R)-1,8-dimethyl-4-(prop-1-en-2-yl)spiro[4.5]dec-7-ene |
| Synonyms | Source |
|---|---|
| (−)-β- acoradiene | ChEBI |
| beta-acoradiene | SUBMITTER |
| (1R,4S,5R)-1,8-dimethyl-4-(1-methylethenyl)spiro[4.5]dec-7-ene | ChEBI |
| UniProt Name | Source |
|---|---|
| β-acoradiene | UniProt |
| Registry Numbers | Sources |
|---|---|
| CAS:28477-64-7 | NIST Chemistry WebBook |
| Citations |
|---|