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CHEBI:193908 - 23-Hydroxyphysalolactone

Default Structure
ChEBI IDCHEBI:193908
ChEBI Name23-Hydroxyphysalolactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H39ClO9
Net Charge0
Average Mass555.064
Monoisotopic Mass554.22826
SMILESCC1=C(C)C(O)C(C(C)(O)C2(O)CCC3(O)C4CC(Cl)C5(O)C(O)C=CC(=O)C5(C)C4CCC32C)OC1=O
InChIInChI=1S/C28H39ClO9/c1-13-14(2)22(33)38-21(20(13)32)25(5,34)27(36)11-10-26(35)16-12-17(29)28(37)19(31)7-6-18(30)24(28,4)15(16)8-9-23(26,27)3/h6-7,15-17,19-21,31-32,34-37H,8-12H2,1-5H3
InChIKeyKWITZWMDVMDLJL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
synthetic microbial community (ncbitaxon:3229850) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3129)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
23-Hydroxyphysalolactone (CHEBI:193908) is a withanolide (CHEBI:74716)
IUPAC Name 
2-[1-(6-chloro-4,5,14,17-tetrahydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,15,16-octahydro-4H-cyclopenta[a]phenanthren-17-yl)-1-hydroxyethyl]-3-hydroxy-4,5-dimethyl-2,3-dihydropyran-6-one
Manual XrefsDatabases
HMDB0031388HMDB