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CHEBI:226708 - Premacrophorin III

ChEBI IDCHEBI:226708
ChEBI NamePremacrophorin III
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H40O7
Net Charge0
Average Mass464.599
Monoisotopic Mass464.27740
SMILESCC(=CC[C@]12O[C@H]1[C@H](O)C(COC(=O)C[C@H](C)O)=CC2=O)CCC=C(C)CCCC(C)(C)O
InChIInChI=1S/C26H40O7/c1-17(10-7-12-25(4,5)31)8-6-9-18(2)11-13-26-21(28)15-20(23(30)24(26)33-26)16-32-22(29)14-19(3)27/h8,11,15,19,23-24,27,30-31H,6-7,9-10,12-14,16H2,1-5H3/t19-,23+,24-,26+/m0/s1
InChIKeySGYIWDMRALNILE-CEKSUIHGSA-N
Species of MetaboliteComponentSourceComments
Trichodermaspecies 1212-03 (ncbitaxon:1421414) - DOI (10.1016/j.tet.2019.04.018)
ChEBI Ontology
Outgoing Relation(s)
Premacrophorin III (CHEBI:226708) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
[(1S,2R,6S)-2-hydroxy-6-(11-hydroxy-3,7,11-trimethyldodeca-2,6-dienyl)-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methyl (3S)-3-hydroxybutanoate