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CHEBI:172137 - Asiminenin A

ChEBI IDCHEBI:172137
ChEBI NameAsiminenin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H66O6
Net Charge0
Average Mass606.929
Monoisotopic Mass606.48594
SMILES[H][C@]1([C@H](O)CCCCCCCCCC[C@@H](O)CC2=C[C@H](C)OC2=O)CC[C@@H](C(O)CC/C=C/CCCCCCCCCC)O1
InChIInChI=1S/C37H66O6/c1-3-4-5-6-7-8-9-10-11-15-18-21-24-33(39)35-26-27-36(43-35)34(40)25-22-19-16-13-12-14-17-20-23-32(38)29-31-28-30(2)42-37(31)41/h15,18,28,30,32-36,38-40H,3-14,16-17,19-27,29H2,1-2H3/b18-15+/t30-,32+,33?,34+,35-,36+/m0/s1
InChIKeyOZWNHDYKRQUFSF-WFCWDJOOSA-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)
Asiminenin A (CHEBI:172137) is a polyketide (CHEBI:26188)
IUPAC Name 
(2S)-4-[(2R,13R)-2,13-dihydroxy-13-[(2R,5S)-5-[(E)-1-hydroxypentadec-4-enyl]oxolan-2-yl]tridecyl]-2-methyl-2H-uran-5-one