5-[(E)-3-Hydroxy-3-methylbut-1-enyl]-2-methylcyclohex-5-ene-1,2,4-triol (CHEBI:181136)

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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	5-[(E)-3-Hydroxy-3-methylbut-1-enyl]-2-methylcyclohex-5-ene-1,2,4-triol

ChEBI ID	CHEBI:181136

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

Submitter	MetaboLights

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Formula

C12H20O4

Net Charge

Average Mass

228.288

Monoisotopic Mass

228.13616

InChI

InChI=1S/C12H20O4/c1-11(2,15)5-4-8-6-10(14)12(3,16)7-9(8)13/h4-6,9-10,13-16H,7H2,1-3H3/b5-4+

InChIKey

KLZSJMCXTDLPSF-SNAWJCMRSA-N

SMILES

OC1(CC(O)C(=CC1O)/C=C/C(O)(C)C)C

ChEBI Ontology
Outgoing	5-[(E)-3-Hydroxy-3-methylbut-1-enyl]-2-methylcyclohex-5-ene-1,2,4-triol (CHEBI:181136) is a cyclitol (CHEBI:23451)

IUPAC Name

5-[(E)-3-hydroxy-3-methylbut-1-enyl]-2-methylcyclohex-5-ene-1,2,4-triol