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CHEBI:190797 - Isoannoreticuin

ChEBI IDCHEBI:190797
ChEBI NameIsoannoreticuin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H64O7
Net Charge0
Average Mass596.890
Monoisotopic Mass596.46520
SMILESCCCCCCCCCCCCC(O)C1CCC(C(O)CCCCCC(O)CCCCC2CC(CC(C)=O)C(=O)O2)O1
InChIInChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-14-21-31(38)33-23-24-34(42-33)32(39)22-15-12-13-18-29(37)19-16-17-20-30-26-28(25-27(2)36)35(40)41-30/h28-34,37-39H,3-26H2,1-2H3
InChIKeyFGLYVGRJXTUDRE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
Isoannoreticuin (CHEBI:190797) is a polyketide (CHEBI:26188)
IUPAC Name 
5-[5,11-dihydroxy-11-[5-(1-hydroxytridecyl)oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one
Manual XrefsDatabases
35014832ChemSpider
HMDB0039604HMDB