EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:187118 - Physalin K

ChEBI IDCHEBI:187118
ChEBI NamePhysalin K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H30O12
Net Charge0
Average Mass558.536
Monoisotopic Mass558.17373
SMILESCC12CC3OC(=O)C1COC14OC5(C2C1=O)C(O)(CCC1C4CC(O)C24C=CC(OO2)C(=O)C14C)C(=O)OC35C
InChIInChI=1S/C28H30O12/c1-22-9-16-24(3)28-17(22)19(31)27(39-28,35-10-13(22)20(32)36-16)12-8-15(29)26-7-5-14(38-40-26)18(30)23(26,2)11(12)4-6-25(28,34)21(33)37-24/h5,7,11-17,29,34H,4,6,8-10H2,1-3H3
InChIKeyIRYOOASWRCIZCK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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)
Physalin K (CHEBI:187118) is a physalin (CHEBI:76361)
IUPAC Name 
2,19-dihydroxy-13,16,23-trimethyl-6,10,17,26,27,30-hexaoxanonacyclo[23.2.2.15,14.15,15.01,23.04,22.08,13.011,16.015,19]hentriacont-28-ene-9,18,24,31-tetrone
Manual XrefsDatabases
HMDB0034347HMDB
35013711ChemSpider