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CHEBI:172756 - 4-Deoxyannoreticuin

ChEBI IDCHEBI:172756
ChEBI Name4-Deoxyannoreticuin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H64O6
Net Charge0
Average Mass580.891
Monoisotopic Mass580.47029
SMILES[H][C@]1([C@H](O)CCCCCCCCCCCC)CC[C@]([H])([C@H](O)CCCCCC(O)CCCCCCC2=C[C@H](C)OC2=O)O1
InChIInChI=1S/C35H64O6/c1-3-4-5-6-7-8-9-10-11-18-23-31(37)33-25-26-34(41-33)32(38)24-19-14-17-22-30(36)21-16-13-12-15-20-29-27-28(2)40-35(29)39/h27-28,30-34,36-38H,3-26H2,1-2H3/t28-,30?,31+,32+,33+,34+/m0/s1
InChIKeyJHKNWORCLXKZFL-GCIOFLGLSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
4-Deoxyannoreticuin (CHEBI:172756) is a polyketide (CHEBI:26188)
IUPAC Name 
(2S)-4-[(13R)-7,13-dihydroxy-13-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2-methyl-2H-uran-5-one
Manual XrefsDatabases
23326521ChemSpider