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CHEBI:226713 - Premacrophorindiol

ChEBI IDCHEBI:226713
ChEBI NamePremacrophorindiol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O4
Net Charge0
Average Mass362.510
Monoisotopic Mass362.24571
SMILESCC(=CC[C@]12O[C@H]1[C@H](O)C(C)=CC2=O)CCC=C(C)CCCC(C)(C)O
InChIInChI=1S/C22H34O4/c1-15(10-7-12-21(4,5)25)8-6-9-16(2)11-13-22-18(23)14-17(3)19(24)20(22)26-22/h8,11,14,19-20,24-25H,6-7,9-10,12-13H2,1-5H3/t19-,20+,22-/m1/s1
InChIKeyNERQZCKFIOERIY-RZUBCFFCSA-N
Species of MetaboliteComponentSourceComments
Trichodermaspecies 1212-03 (ncbitaxon:1421414) - DOI (10.1016/j.tet.2019.04.018)
ChEBI Ontology
Outgoing Relation(s)
Premacrophorindiol (CHEBI:226713) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,5R,6S)-5-hydroxy-1-(11-hydroxy-3,7,11-trimethyldodeca-2,6-dienyl)-4-methyl-7-oxabicyclo[4.1.0]hept-3-en-2-one