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CHEBI:226681 - Premacrophorintriol-II

ChEBI IDCHEBI:226681
ChEBI NamePremacrophorintriol-II
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H36O4
Net Charge0
Average Mass364.526
Monoisotopic Mass364.26136
SMILESCC(=CC[C@]12O[C@H]1[C@H](O)C(C)=C[C@H]2O)CCC=C(C)CCCC(C)(C)O
InChIInChI=1S/C22H36O4/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/h8,11,14,18-20,23-25H,6-7,9-10,12-13H2,1-5H3/t18-,19-,20+,22-/m1/s1
InChIKeyGWVCFDCDFFGRDG-XWSHUIEDSA-N
Species of MetaboliteComponentSourceComments
Trichodermaspecies 1212-03 (ncbitaxon:1421414) - DOI (10.1016/j.tet.2019.04.018)
ChEBI Ontology
Outgoing Relation(s)
Premacrophorintriol-II (CHEBI:226681) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,2R,5R,6S)-1-(11-hydroxy-3,7,11-trimethyldodeca-2,6-dienyl)-4-methyl-7-oxabicyclo[4.1.0]hept-3-ene-2,5-diol