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CHEBI:190855 - Annonisin

ChEBI IDCHEBI:190855
ChEBI NameAnnonisin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H62O8
Net Charge0
Average Mass610.873
Monoisotopic Mass610.44447
SMILESCCCCCCCCCCC(O)C1CCC(C2CCC(C(O)CCCCC(O)CCCC(O)CC3=CC(C)OC3=O)O2)O1
InChIInChI=1S/C35H62O8/c1-3-4-5-6-7-8-9-10-17-29(38)31-19-21-33(42-31)34-22-20-32(43-34)30(39)18-12-11-14-27(36)15-13-16-28(37)24-26-23-25(2)41-35(26)40/h23,25,27-34,36-39H,3-22,24H2,1-2H3
InChIKeyZZFFUICBXFIPAB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
Annonisin (CHEBI:190855) is a polyketide (CHEBI:26188)
IUPAC Name 
2-methyl-4-[2,6,11-trihydroxy-11-[5-[5-(1-hydroxyundecyl)oxolan-2-yl]oxolan-2-yl]undecyl]-2H-uran-5-one
Manual XrefsDatabases
HMDB0031394HMDB
35013362ChemSpider