5-chloroacremine H (CHEBI:218543)

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	5-chloroacremine H

ChEBI ID	CHEBI:218543

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H17ClO5

Net Charge

Average Mass

276.710

Monoisotopic Mass

276.07645

InChI

InChI=1S/C12H17ClO5/c1-11(2,16)10-8(18-10)5-4-6(14)12(3,17)9(13)7(5)15/h4,7-10,15-17H,1-3H3/t7-,8?,9-,10?,12+/m1/s1

InChIKey

DKNILNCXVTXKNO-KXRYXMPXSA-N

SMILES

Cl[C@H]1[C@@](O)(C(=O)C=C([C@H]1O)C2OC2C(O)(C)C)C

Metabolite of Species	Details
Verruciconidia persicina (NCBI:txid5051)	See: PubMed

ChEBI Ontology
Outgoing	5-chloroacremine H (CHEBI:218543) is a cyclohexenones (CHEBI:48953)

IUPAC Name

(4R,5R,6S)-5-chloro-4,6-dihydroxy-3-[3-(2-hydroxypropan-2-yl)oxiran-2-yl]-6-methylcyclohex-2-en-1-one