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CHEBI:200046 - Phomentrioloxin B

ChEBI IDCHEBI:200046
ChEBI NamePhomentrioloxin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O4
Net Charge0
Average Mass290.359
Monoisotopic Mass290.15181
SMILESC=C(C#CC1=C[C@@H](O)[C@@H](OC)[C@H](O)C1=O)CCC=C(C)C
InChIInChI=1S/C17H22O4/c1-11(2)6-5-7-12(3)8-9-13-10-14(18)17(21-4)16(20)15(13)19/h6,10,14,16-18,20H,3,5,7H2,1-2,4H3/t14-,16-,17-/m1/s1
InChIKeyJKVHMQFXNMEOSL-DJIMGWMZSA-N
Species of MetaboliteComponentSourceComments
Diaporthe gulyae (ncbitaxon:1116854) - PubMed (25700035)
ChEBI Ontology
Outgoing Relation(s)
Phomentrioloxin B (CHEBI:200046) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(4R,5R,6S)-4,6-dihydroxy-5-methoxy-2-(7-methyl-3-methylideneoct-6-en-1-ynyl)cyclohex-2-en-1-one
Manual XrefsDatabases
78436574ChemSpider