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CHEBI:180854 - 4,7-Didehydroneophysalin B

ChEBI IDCHEBI:180854
ChEBI Name4,7-Didehydroneophysalin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H28O9
Net Charge0
Average Mass508.523
Monoisotopic Mass508.17333
SMILESCC12C(=O)C=CC=C1C=CC1C2CCC2(O)C(=O)OC3(C)C4CC5(C)C(COC16C(=O)OC23C56)C(=O)O4
InChIInChI=1S/C28H28O9/c1-23-11-18-25(3)28-20(23)27(22(32)37-28,34-12-16(23)19(30)35-18)15-8-7-13-5-4-6-17(29)24(13,2)14(15)9-10-26(28,33)21(31)36-25/h4-8,14-16,18,20,33H,9-12H2,1-3H3
InChIKeyKUSIVZBQAMNZCO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
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)
4,7-Didehydroneophysalin B (CHEBI:180854) is a physalin (CHEBI:76361)
IUPAC Name 
5-hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.2.01,5.02,24.08,17.09,14.018,27.021,26]nonacosa-11,13,15-triene-4,10,22,29-tetrone
Manual XrefsDatabases
35014860ChemSpider
HMDB0039695HMDB