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CHEBI:171854 - cis-Annonacin-10-one

ChEBI IDCHEBI:171854
ChEBI Namecis-Annonacin-10-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H62O7
Net Charge0
Average Mass594.874
Monoisotopic Mass594.44955
SMILESCCCCCCCCCCCCC(O)C1CCC(C(O)CCCCC(=O)CCCCCC(O)CC2=C(C)COC2=O)O1
InChIInChI=1S/C35H62O7/c1-3-4-5-6-7-8-9-10-11-15-21-31(38)33-23-24-34(42-33)32(39)22-17-16-19-28(36)18-13-12-14-20-29(37)25-30-27(2)26-41-35(30)40/h29,31-34,37-39H,3-26H2,1-2H3
InChIKeyHGGYZUZQVNVDDD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
cis-Annonacin-10-one (CHEBI:171854) is a long-chain fatty alcohol (CHEBI:17135)
IUPAC Name 
4-[2,13-dihydroxy-13-[5-(1-hydroxytridecyl)oxolan-2-yl]-8-oxotridecyl]-3-methyl-2H-uran-5-one
Manual XrefsDatabases
35015196ChemSpider
HMDB0041524HMDB