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CHEBI:171952 - Montecristin

ChEBI IDCHEBI:171952
ChEBI NameMontecristin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H66O4
Net Charge0
Average Mass574.931
Monoisotopic Mass574.49611
SMILESCCCCCCCCCCCC/C=C\CC/C=C\CC[C@@H](O)[C@H](O)CCCCCCCCCCC1=C[C@H](C)OC1=O
InChIInChI=1S/C37H66O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-27-30-35(38)36(39)31-28-25-22-19-18-20-23-26-29-34-32-33(2)41-37(34)40/h14-15,21,24,32-33,35-36,38-39H,3-13,16-20,22-23,25-31H2,1-2H3/b15-14-,24-21-/t33-,35+,36+/m0/s1
InChIKeyULFROYYCMRNCTL-HAVKIKKTSA-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)
Montecristin (CHEBI:171952) is a polyketide (CHEBI:26188)
IUPAC Name 
(2S)-4-[(11R,12R,15Z,19Z)-11,12-dihydroxydotriaconta-15,19-dienyl]-2-methyl-2H-uran-5-one