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CHEBI:171888 - Rollimusin

ChEBI IDCHEBI:171888
ChEBI NameRollimusin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H66O8
Net Charge0
Average Mass638.927
Monoisotopic Mass638.47577
SMILES[H][C@]1([C@H](O)CCCCC(O)CCCCCCCC2=CC(C)OC2=O)CC[C@]([H])([C@@]2([H])CC[C@]([H])([C@@H](O)CCCC(O)CCCCCC)O2)O1
InChIInChI=1S/C37H66O8/c1-3-4-5-10-16-30(39)19-14-21-32(41)34-23-25-36(45-34)35-24-22-33(44-35)31(40)20-13-12-18-29(38)17-11-8-6-7-9-15-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3/t27?,29?,30?,31-,32+,33-,34-,35-,36-/m1/s1
InChIKeyAFKUAQRKQMVATG-UHYBWJLZSA-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)
Rollimusin (CHEBI:171888) is a polyketide (CHEBI:26188)
IUPAC Name 
4-[(13R)-13-[(2R,5R)-5-[(2R,5R)-5-[(1S)-1,5-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-8,13-dihydroxytridecyl]-2-methyl-2H-uran-5-one
Manual XrefsDatabases
8230452ChemSpider