CHEBI:196344 - Elatol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Elatol
ChEBI ID CHEBI:196344
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H22BrClO
Net Charge 0
Average Mass 333.690
Monoisotopic Mass 332.05426
InChI InChI=1S/C15H22BrClO/c1-9-5-6-15(8-11(9)17)10(2)7-12(18)13(16)14(15,3)4/h12-13,18H,2,5-8H2,1,3-4H3/t12-,13-,15+/m0/s1
InChIKey HZKGRCIKQBHSNA-KCQAQPDRSA-N
SMILES Br[C@@H]1C([C@@]2(CCC(=C(Cl)C2)C)C(C[C@@H]1O)=C)(C)C
ChEBI Ontology
Outgoing Elatol (CHEBI:196344) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name
(3S,4R,6R)-4-bromo-10-chloro-5,5,9-trimethyl-1-methylidenespiro[5.5]undec-9-en-3-ol
Manual Xrefs Databases
421123 ChemSpider
C17118 KEGG COMPOUND
View more database links