Similin A (CHEBI:220666)

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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	Similin A

ChEBI ID	CHEBI:220666

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H20O3

Net Charge

Average Mass

224.300

Monoisotopic Mass

224.14124

InChI

InChI=1S/C13H20O3/c1-5-8(3)10-9(7-14)11(15)13(4,6-2)12(10)16/h8,14H,5-7H2,1-4H3/t8-,13+/m1/s1

InChIKey

KLBYHSGDRHDUSA-OQPBUACISA-N

SMILES

O=C1C(=C(CO)C([C@@]1(CC)C)=O)[C@@H](CC)C

Metabolite of Species	Details
Preussia similis (NCBI:txid269685)	See: DOI

ChEBI Ontology
Outgoing	Similin A (CHEBI:220666) is a monoterpenoid (CHEBI:25409)

IUPAC Name

(2R)-4-[(2R)-butan-2-yl]-2-ethyl-5-(hydroxymethyl)-2-methylcyclopent-4-ene-1,3-dione