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CHEBI:169597 - Physalin H

ChEBI IDCHEBI:169597
ChEBI NamePhysalin H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H31ClO10
Net Charge0
Average Mass562.999
Monoisotopic Mass562.16057
SMILESCC12CC3OC(=O)C1COC14OC5(C2C1=O)C(O)(CCC1C4CC(O)C2(Cl)CC=CC(=O)C12C)C(=O)OC35C
InChIInChI=1S/C28H31ClO10/c1-22-10-17-24(3)28-18(22)19(32)27(39-28,36-11-14(22)20(33)37-17)13-9-16(31)25(29)7-4-5-15(30)23(25,2)12(13)6-8-26(28,35)21(34)38-24/h4-5,12-14,16-18,31,35H,6-11H2,1-3H3
InChIKeyYNEPXUIPALKHAU-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)
Physalin H (CHEBI:169597) is a physalin (CHEBI:76361)
IUPAC Name 
14-chloro-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
HMDB0034093HMDB
137022ChemSpider