trans-3,5,6,8a-tetrahydro-2,5,5,8a-tetramethyl-2H-1-Benzopyran (CHEBI:229430)

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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	trans-3,5,6,8a-tetrahydro-2,5,5,8a-tetramethyl-2H-1-Benzopyran

ChEBI ID	CHEBI:229430

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H20O

Net Charge

Average Mass

192.302

Monoisotopic Mass

192.15142

InChI

InChI=1S/C13H20O/c1-10-6-7-11-12(2,3)8-5-9-13(11,4)14-10/h5,7,9-10H,6,8H2,1-4H3/t10-,13+/m0/s1

InChIKey

HUXGOQHTDHIKSS-GXFFZTMASA-N

SMILES

O1[C@]2(C(C(CC=C2)(C)C)=CC[C@@H]1C)C

Metabolite of Species	Details
Oryctolagus cuniculus (NCBI:txid9986)	Found in longissimus thoracis (BTO:0001651). See: MetaboLights Study

ChEBI Ontology
Outgoing	trans-3,5,6,8a-tetrahydro-2,5,5,8a-tetramethyl-2H-1-Benzopyran (CHEBI:229430) is a benzopyran (CHEBI:22727)

IUPAC Name

(2S,8aR)-2,5,5,8a-tetramethyl-3,6-dihydro-2H-chromene