EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:225979 - Amiaspochalasin G

ChEBI IDCHEBI:225979
ChEBI NameAmiaspochalasin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H39NO5
Net Charge0
Average Mass433.589
Monoisotopic Mass433.28282
SMILESCOC(=O)C=C[C@H](O)CCCC(C)=C[C@H]1C=C(C)[C@@H](C)[C@H]2[C@H](CC(C)C)NC(=O)[C@@]12O
InChIInChI=1S/C25H39NO5/c1-15(2)12-21-23-18(5)17(4)14-19(25(23,30)24(29)26-21)13-16(3)8-7-9-20(27)10-11-22(28)31-6/h10-11,13-15,18-21,23,27,30H,7-9,12H2,1-6H3,(H,26,29)/t18-,19+,20-,21+,23+,25-/m1/s1
InChIKeyMVKLCSLMWIZPQJ-SKUCSUNVSA-N
Species of MetaboliteComponentSourceComments
Aspergillus micronesiensis (ncbitaxon:1507543) - PubMed (30997804)
ChEBI Ontology
Outgoing Relation(s)
Amiaspochalasin G (CHEBI:225979) is a isoindoles (CHEBI:24897)
IUPAC Name 
methyl (4R)-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-hydroxy-8-methylnona-2,8-dienoate