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CHEBI:191688 - Physalin M

ChEBI IDCHEBI:191688
ChEBI NamePhysalin M
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H32O9
Net Charge0
Average Mass512.555
Monoisotopic Mass512.20463
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)[C@H]3C)[C@]1([H])CC=C1C=CCC(=O)[C@@]12C
InChIInChI=1S/C28H32O9/c1-13-21(31)35-18-12-23(13,2)19-20(30)27(34)16-9-8-14-6-5-7-17(29)24(14,3)15(16)10-11-26(33)22(32)36-25(18,4)28(19,26)37-27/h5-6,8,13,15-16,18-19,33-34H,7,9-12H2,1-4H3/t13-,15+,16-,18-,19+,23-,24+,25+,26+,27-,28+/m1/s1
InChIKeyDRSSQOIGUIMEGX-ILWTWGIQSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) 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 M (CHEBI:191688) is a physalin (CHEBI:76361)
IUPAC Name 
(1S,2S,3R,5R,6R,14R,15S,18R,21S,22R,25S)-5,18-dihydroxy-1,14,21,25-tetramethyl-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,10-diene-13,19,24,27-tetrone
Manual XrefsDatabases
103881791ChemSpider