Chloriolin A (CHEBI:207900)

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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	Chloriolin A

ChEBI ID	CHEBI:207900

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H21ClO3

Net Charge

Average Mass

272.770

Monoisotopic Mass

272.11792

InChI

InChI=1S/C14H21ClO3/c1-13(2)5-8-4-9(7-16)14(3,10(17)6-15)11(8)12(13)18/h4,8,11-12,16,18H,5-7H2,1-3H3/t8-,11-,12+,14+/m0/s1

InChIKey

QJDLIMFXDMREHY-HDRXNWCYSA-N

SMILES

ClCC(=O)[C@]1(C(=C[C@@H]2[C@H]1[C@@H](O)C(C)(C)C2)CO)C

ChEBI Ontology
Outgoing	Chloriolin A (CHEBI:207900) is a monoterpenoid (CHEBI:25409)

IUPAC Name

1-[(1R,3aR,6R,6aR)-6-hydroxy-2-(hydroxymethyl)-1,5,5-trimethyl-3a,4,6,6a-tetrahydropentalen-1-yl]-2-chloroethanone