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CHEBI:171886 - Purpurenin

ChEBI IDCHEBI:171886
ChEBI NamePurpurenin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H66O8
Net Charge0
Average Mass638.927
Monoisotopic Mass638.47577
SMILES[H][C@]1([C@H](O)CCCC[C@H](O)CCCCCCCC2=C[C@H](C)OC2=O)CC[C@]([H])([C@@]2([H])CC[C@]([H])([C@@H](O)CCCC[C@@H](O)CCCCC)O2)O1
InChIInChI=1S/C37H66O8/c1-3-4-8-16-29(38)18-11-13-20-31(40)33-22-24-35(44-33)36-25-23-34(45-36)32(41)21-14-12-19-30(39)17-10-7-5-6-9-15-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3/t27-,29-,30+,31-,32+,33+,34+,35+,36+/m0/s1
InChIKeyMFGFWXCTLLADHW-IBOOTRSHSA-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)
Purpurenin (CHEBI:171886) is a polyketide (CHEBI:26188)
IUPAC Name 
(2S)-4-[(8R,13R)-13-[(2R,5R)-5-[(2R,5R)-5-[(1S,6S)-1,6-dihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]-8,13-dihydroxytridecyl]-2-methyl-2H-uran-5-one
Manual XrefsDatabases
8683737ChemSpider