Cladoacetal A (CHEBI:210218)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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	Cladoacetal A

ChEBI ID	CHEBI:210218

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H12O3

Net Charge

Average Mass

204.225

Monoisotopic Mass

204.07864

InChI

InChI=1S/C12H12O3/c1-7-10-6-5-8-3-2-4-9(13)11(8)12(14-7)15-10/h2-7,10,12-13H,1H3/t7-,10+,12-/m1/s1

InChIKey

MQNPAODYALMZAI-INNHCVQGSA-N

SMILES

O1[C@H]2O[C@@H]([C@@H]1C=CC=3C2=C(O)C=CC3)C

Metabolite of Species	Details
Cladosporium (NCBI:txid5498)	See: PubMed

ChEBI Ontology
Outgoing	Cladoacetal A (CHEBI:210218) is a phenols (CHEBI:33853)

IUPAC Name

(1R,10S,11R)-11-methyl-12,13-dioxatricyclo[8.2.1.02,7]trideca-2(7),3,5,8-tetraen-3-ol