Trichodermaketone B (CHEBI:205294)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Trichodermaketone B

ChEBI ID	CHEBI:205294

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H24O5

Net Charge

Average Mass

296.363

Monoisotopic Mass

296.16237

InChI

InChI=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

InChIKey

NZILGJJOROLVAH-VWHJJCLCSA-N

SMILES

O=C1C2=C(O[C@@H]3[C@H]2O[C@H](CCCCCC)[C@@H]3O)[C@H](O)CC1

Metabolite of Species	Details
Trichoderma koningii (NCBI:txid97093)	See: PubMed

ChEBI Ontology
Outgoing	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