6(S*)-Bromo-1,4(R*)-oxido-2(Z)-ochtoden-8(S*)-ol (CHEBI:212111)

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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	*6(S)-Bromo-1,4(R)-oxido-2(Z)-ochtoden-8(S)-ol**

ChEBI ID	CHEBI:212111

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C10H15BrO2

Net Charge

Average Mass

247.132

Monoisotopic Mass

246.02554

InChI

InChI=1S/C10H15BrO2/c1-10(2)8(11)5-7-6(9(10)12)3-4-13-7/h3,7-9,12H,4-5H2,1-2H3/t7-,8+,9+/m1/s1

InChIKey

FDFKMTXRKNETHS-VGMNWLOBSA-N

SMILES

Br[C@@H]1C([C@@H](O)C2=CCO[C@@H]2C1)(C)C

ChEBI Ontology
Outgoing	6(S)-Bromo-1,4(R)-oxido-2(Z)-ochtoden-8(S*)-ol (CHEBI:212111) is a benzofurans (CHEBI:35259)

IUPAC Name

(4S,6S,7aR)-6-bromo-5,5-dimethyl-4,6,7,7a-tetrahydro-2H-1-benzouran-4-ol