EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:225973 - Amiaspochalasin F

ChEBI IDCHEBI:225973
ChEBI NameAmiaspochalasin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H39NO6
Net Charge0
Average Mass449.588
Monoisotopic Mass449.27774
SMILESCOC(=O)C=C[C@H](O)[C@H](O)CCC(C)=C[C@H]1C=C(C)[C@@H](C)[C@H]2[C@H](CC(C)C)NC(=O)[C@@]12O
InChIInChI=1S/C25H39NO6/c1-14(2)11-19-23-17(5)16(4)13-18(25(23,31)24(30)26-19)12-15(3)7-8-20(27)21(28)9-10-22(29)32-6/h9-10,12-14,17-21,23,27-28,31H,7-8,11H2,1-6H3,(H,26,30)/t17-,18+,19+,20-,21+,23+,25-/m1/s1
InChIKeyYUXUTEAAGHFKKH-BRLLOTTCSA-N
Species of MetaboliteComponentSourceComments
Aspergillus micronesiensis (ncbitaxon:1507543) - PubMed (30997804)
ChEBI Ontology
Outgoing Relation(s)
Amiaspochalasin F (CHEBI:225973) is a isoindoles (CHEBI:24897)
IUPAC Name 
methyl (4S,5R)-9-[(1S,3aR,4S,7S,7aS)-3a-hydroxy-6,7-dimethyl-1-(2-methylpropyl)-3-oxo-2,4,7,7a-tetrahydro-1H-isoindol-4-yl]-4,5-dihydroxy-8-methylnona-2,8-dienoate