EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:214676 - Minutellin B

ChEBI IDCHEBI:214676
ChEBI NameMinutellin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H26O7
Net Charge0
Average Mass438.476
Monoisotopic Mass438.16785
SMILESCCCCCC(=O)C1=C2C3=COC(C4=C(C)C[C@H](O)CC4=O)=CC3=CC(=O)[C@]2(C)OC1=O
InChIInChI=1S/C25H26O7/c1-4-5-6-7-17(27)22-23-16-12-31-19(21-13(2)8-15(26)11-18(21)28)9-14(16)10-20(29)25(23,3)32-24(22)30/h9-10,12,15,26H,4-8,11H2,1-3H3/t15-,25-/m0/s1
InChIKeyPKVRJRHVMISYNO-MQNRADLISA-N
Species of MetaboliteComponentSourceComments
Jackrogersella minutella (ncbitaxon:1955266) - PubMed (28215421)
ChEBI Ontology
Outgoing Relation(s)
Minutellin B (CHEBI:214676) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(6aR)-9-hexanoyl-3-[(4S)-4-hydroxy-2-methyl-6-oxocyclohexen-1-yl]-6a-methyluro[2,3-h]isochromene-6,8-dione
Manual XrefsDatabases
78443441ChemSpider