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CHEBI:218543 - 5-chloroacremine H

ChEBI IDCHEBI:218543
ChEBI Name5-chloroacremine H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H17ClO5
Net Charge0
Average Mass276.716
Monoisotopic Mass276.07645
SMILESCC(C)(O)C1OC1C1=CC(=O)[C@](C)(O)[C@H](Cl)[C@@H]1O
InChIInChI=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
InChIKeyDKNILNCXVTXKNO-KXRYXMPXSA-N
Species of MetaboliteComponentSourceComments
Verruciconidia persicina (ncbitaxon:5051) - PubMed (23883432)
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
30771258ChemSpider