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CHEBI:172737 - Physalin E

ChEBI IDCHEBI:172737
ChEBI NamePhysalin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H32O11
Net Charge0
Average Mass544.553
Monoisotopic Mass544.19446
SMILESCC12CC3OC(=O)C1COC14OC5(C2C1=O)C(O)(CCC1C4C(O)CC2(O)CC=CC(=O)C12C)C(=O)OC35C
InChIInChI=1S/C28H32O11/c1-22-10-16-24(3)28-18(22)19(31)27(39-28,36-11-13(22)20(32)37-16)17-12(6-8-26(28,35)21(33)38-24)23(2)15(30)5-4-7-25(23,34)9-14(17)29/h4-5,12-14,16-18,29,34-35H,6-11H2,1-3H3
InChIKeyYFLAVJCREXGADP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
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 E (CHEBI:172737) is a physalin (CHEBI:76361)
IUPAC Name 
5,14,16-trihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacos-11-ene-4,10,22,29-tetrone
Manual XrefsDatabases
35013710ChemSpider
HMDB0034330HMDB