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CHEBI:169523 - 5alpha-Ethoxy-6beta-hydroxy-5,6-dihydrophysalin B

ChEBI IDCHEBI:169523
ChEBI Name5alpha-Ethoxy-6beta-hydroxy-5,6-dihydrophysalin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H36O11
Net Charge0
Average Mass572.607
Monoisotopic Mass572.22576
SMILESCCOC12CC=CC(=O)C1(C)C1CCC3(O)C(=O)OC4(C)C5CC6(C)C(COC7(OC34C6C7=O)C1CC2O)C(=O)O5
InChIInChI=1S/C30H36O11/c1-5-37-28-9-6-7-17(31)25(28,3)14-8-10-27(36)23(35)40-26(4)19-12-24(2)16(22(34)39-19)13-38-29(15(14)11-18(28)32)21(33)20(24)30(26,27)41-29/h6-7,14-16,18-20,32,36H,5,8-13H2,1-4H3
InChIKeyGCRPDPKXRPYCEV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
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)
5alpha-Ethoxy-6beta-hydroxy-5,6-dihydrophysalin B (CHEBI:169523) is a physalin (CHEBI:76361)
IUPAC Name 
14-ethoxy-5,15-dihydroxy-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
HMDB0029626HMDB
35013072ChemSpider