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CHEBI:173291 - Physalin I

ChEBI IDCHEBI:173291
ChEBI NamePhysalin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H34O11
Net Charge0
Average Mass558.580
Monoisotopic Mass558.21011
SMILESCOC12CC=CC(=O)C1(C)C1CCC3(O)C(=O)OC4(C)C5CC6(C)C(COC7(OC34C6C7=O)C1CC2O)C(=O)O5
InChIInChI=1S/C29H34O11/c1-23-11-18-25(3)29-19(23)20(32)28(40-29,37-12-15(23)21(33)38-18)14-10-17(31)27(36-4)8-5-6-16(30)24(27,2)13(14)7-9-26(29,35)22(34)39-25/h5-6,13-15,17-19,31,35H,7-12H2,1-4H3
InChIKeyPKBKMEUABLQCJI-UHFFFAOYSA-N
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 I (CHEBI:173291) is a physalin (CHEBI:76361)
IUPAC Name 
5,15-dihydroxy-14-methoxy-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
HMDB0034402HMDB
35013714ChemSpider