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CHEBI:224076 - Phomentrioloxin

ChEBI IDCHEBI:224076
ChEBI NamePhomentrioloxin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H24O4
Net Charge0
Average Mass292.375
Monoisotopic Mass292.16746
SMILESC=C(C#CC1=C[C@H](O)[C@H](OC)[C@@H](O)[C@H]1O)CCC=C(C)C
InChIInChI=1S/C17H24O4/c1-11(2)6-5-7-12(3)8-9-13-10-14(18)17(21-4)16(20)15(13)19/h6,10,14-20H,3,5,7H2,1-2,4H3/t14-,15-,16-,17-/m0/s1
InChIKeyQMURELAJMFSPEF-QAETUUGQSA-N
Species of MetaboliteComponentSourceComments
Phomopsisspecies (ncbitaxon:1715245) - PubMed (22694489)
ChEBI Ontology
Outgoing Relation(s)
Phomentrioloxin (CHEBI:224076) is a cyclitol (CHEBI:23451)
IUPAC Name 
(1S,2S,3S,4S)-3-methoxy-6-(7-methyl-3-methylideneoct-6-en-1-ynyl)cyclohex-5-ene-1,2,4-triol
Manual XrefsDatabases
78443424ChemSpider