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CHEBI:184407 - 3-(2,10-Dihydroxy-10-{6-[5-(1-hydroxytridecyl)oxolan-2-yl]oxan-2-yl}decyl)-5-methyl-2,5-dihydrofuran-2-one

ChEBI IDCHEBI:184407
ChEBI Name3-(2,10-Dihydroxy-10-{6-[5-(1-hydroxytridecyl)oxolan-2-yl]oxan-2-yl}decyl)-5-methyl-2,5-dihydrofuran-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H66O7
Net Charge0
Average Mass622.928
Monoisotopic Mass622.48085
SMILESCCCCCCCCCCCCC(O)C1CCC(C2CCCC(C(O)CCCCCCCC(O)CC3=CC(C)OC3=O)O2)O1
InChIInChI=1S/C37H66O7/c1-3-4-5-6-7-8-9-10-13-16-21-32(40)34-24-25-36(44-34)35-23-18-22-33(43-35)31(39)20-17-14-11-12-15-19-30(38)27-29-26-28(2)42-37(29)41/h26,28,30-36,38-40H,3-25,27H2,1-2H3
InChIKeyAQGAHXFRKSQXSN-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
3-(2,10-Dihydroxy-10-{6-[5-(1-hydroxytridecyl)oxolan-2-yl]oxan-2-yl}decyl)-5-methyl-2,5-dihydrofuran-2-one (CHEBI:184407) is a polyketide (CHEBI:26188)
IUPAC Name 
4-[2,10-dihydroxy-10-[6-[5-(1-hydroxytridecyl)oxolan-2-yl]oxan-2-yl]decyl]-2-methyl-2H-uran-5-one
Manual XrefsDatabases
HMDB0031170HMDB
35013329ChemSpider