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CHEBI:211058 - Chaetomugilin P

ChEBI IDCHEBI:211058
ChEBI NameChaetomugilin P
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H27ClO5
Net Charge0
Average Mass406.906
Monoisotopic Mass406.15470
SMILESC/C=C(\Cl)C(=O)[C@@](C)(O)[C@H]1CC(=O)C(C)=C2C=C(/C=C/[C@@H](C)[C@@H](C)O)OC=C21
InChIInChI=1S/C22H27ClO5/c1-6-19(23)21(26)22(5,27)18-10-20(25)13(3)16-9-15(28-11-17(16)18)8-7-12(2)14(4)24/h6-9,11-12,14,18,24,27H,10H2,1-5H3/b8-7+,19-6-/t12-,14-,18+,22+/m1/s1
InChIKeyKLMQRLLJGPIKJE-NCZDROTISA-N
Species of MetaboliteComponentSourceComments
Chaetomium globosum (ncbitaxon:38033) - PubMed (21640594)
ChEBI Ontology
Outgoing Relation(s)
Chaetomugilin P (CHEBI:211058) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(8S)-8-[(Z,2S)-4-chloro-2-hydroxy-3-oxohex-4-en-2-yl]-3-[(E,3R,4R)-4-hydroxy-3-methylpent-1-enyl]-5-methyl-7,8-dihydroisochromen-6-one
Manual XrefsDatabases
26607340ChemSpider