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CHEBI:180767 - Physalin C

ChEBI IDCHEBI:180767
ChEBI NamePhysalin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H30O9
Net Charge0
Average Mass510.539
Monoisotopic Mass510.18898
SMILESC=C1C(=O)OC2CC1(C)C1C(=O)C3(O)OC14C(O)(CCC1C3CC=C3CC=CC(=O)C31C)C(=O)OC24C
InChIInChI=1S/C28H30O9/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/h5,7-8,15-16,18-19,33-34H,1,6,9-12H2,2-4H3
InChIKeyOZDVKLAQLVYYJW-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)
Physalin C (CHEBI:180767) is a physalin (CHEBI:76361)
IUPAC Name 
5,18-dihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone
Manual XrefsDatabases
19718571ChemSpider
HMDB0034094HMDB