EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:191715 - Physalin A

ChEBI IDCHEBI:191715
ChEBI NamePhysalin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H30O10
Net Charge0
Average Mass526.538
Monoisotopic Mass526.18390
SMILES[H][C@]12CC[C@]3(O)C(=O)O[C@]4(C)[C@]35O[C@@](O)(C(=O)[C@@]5([H])[C@]3(C)C[C@@]4([H])OC(=O)C3=C)[C@]1([H])[C@H](O)C=C1CC=CC(=O)[C@@]12C
InChIInChI=1S/C28H30O10/c1-12-21(32)36-17-11-23(12,2)19-20(31)27(35)18-14(24(3)13(10-15(18)29)6-5-7-16(24)30)8-9-26(34)22(33)37-25(17,4)28(19,26)38-27/h5,7,10,14-15,17-19,29,34-35H,1,6,8-9,11H2,2-4H3/t14-,15+,17+,18-,19-,23+,24-,25-,26-,27+,28-/m0/s1
InChIKeyVELDODQHYQSJOF-RPKVKFPNSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
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 A (CHEBI:191715) is a physalin (CHEBI:76361)
IUPAC Name 
(1S,2S,3R,5R,6S,7R,14R,15S,18R,21S,22R)-5,7,18-trihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone
Manual XrefsDatabases
24710917ChemSpider