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CHEBI:205294 - Trichodermaketone B

ChEBI IDCHEBI:205294
ChEBI NameTrichodermaketone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H24O5
Net Charge0
Average Mass296.363
Monoisotopic Mass296.16237
SMILESCCCCCC[C@H]1O[C@H]2C3=C(O[C@H]2[C@H]1O)[C@H](O)CCC3=O
InChIInChI=1S/C16H24O5/c1-2-3-4-5-6-11-13(19)16-15(20-11)12-9(17)7-8-10(18)14(12)21-16/h10-11,13,15-16,18-19H,2-8H2,1H3/t10-,11-,13+,15+,16+/m1/s1
InChIKeyNZILGJJOROLVAH-VWHJJCLCSA-N
Species of MetaboliteComponentSourceComments
Trichoderma koningii (ncbitaxon:97093) - PubMed (20384316)
ChEBI Ontology
Outgoing Relation(s)
Trichodermaketone B (CHEBI:205294) is a furofuran (CHEBI:47790)
IUPAC Name 
(2R,3S,3aS,5R,8bS)-2-hexyl-3,5-dihydroxy-3,3a,5,6,7,8b-hexahydro-2H-uro[3,2-b][1]benzouran-8-one
Manual XrefsDatabases
24672469ChemSpider