10-bromo-7-hydroxy-11-iodolaurene (CHEBI:198925)

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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	10-bromo-7-hydroxy-11-iodolaurene

ChEBI ID	CHEBI:198925

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H18BrIO

Net Charge

Average Mass

421.116

Monoisotopic Mass

419.95857

InChI

InChI=1S/C15H18BrIO/c1-8-5-6-15(4,10(8)3)12-11(18)7-9(2)13(16)14(12)17/h7,10,18H,1,5-6H2,2-4H3/t10-,15+/m0/s1

InChIKey

JXIXIAABBVUSSF-ZUZCIYMTSA-N

SMILES

IC1=C(Br)C(=CC(=C1[C@]2([C@H](C(=C)CC2)C)C)O)C

ChEBI Ontology
Outgoing	10-bromo-7-hydroxy-11-iodolaurene (CHEBI:198925) is a hydroxytoluene (CHEBI:24751)

IUPAC Name

4-bromo-2-[(1R,2S)-1,2-dimethyl-3-methylidenecyclopentyl]-3-iodo-5-methylphenol