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CHEBI:199999 - Trichodermaketone A

ChEBI IDCHEBI:199999
ChEBI NameTrichodermaketone A
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-VUBORPHZSA-N
Species of MetaboliteComponentSourceComments
Trichoderma koningii (ncbitaxon:97093) - PubMed (20384316)
ChEBI Ontology
Outgoing Relation(s)
Trichodermaketone A (CHEBI:199999) is a furofuran (CHEBI:47790)
IUPAC Name 
(2S,3R,3aR,5R,8bR)-2-hexyl-3,5-dihydroxy-3,3a,5,6,7,8b-hexahydro-2H-uro[3,2-b][1]benzouran-8-one
Manual XrefsDatabases
24671603ChemSpider