Botrysphone C (CHEBI:207779)

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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	Botrysphone C

ChEBI ID	CHEBI:207779

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C8H11ClO4

Net Charge

Average Mass

206.620

Monoisotopic Mass

206.03459

InChI

InChI=1S/C8H11ClO4/c1-2-13-5-3-4(10)7(11)8(12)6(5)9/h3,6-8,11-12H,2H2,1H3/t6-,7+,8-/m1/s1

InChIKey

JJILKKLTNUEUTF-GJMOJQLCSA-N

SMILES

Cl[C@@H]1C(OCC)=CC(=O)[C@@H]([C@@H]1O)O

Metabolite of Species	Details
Neofusicoccum laricinum (NCBI:txid121618)	See: PubMed

ChEBI Ontology
Outgoing	Botrysphone C (CHEBI:207779) is a cyclohexenones (CHEBI:48953)

IUPAC Name

(4S,5S,6R)-4-chloro-3-ethoxy-5,6-dihydroxycyclohex-2-en-1-one