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CHEBI:210411 - Asperchalasin C

ChEBI IDCHEBI:210411
ChEBI NameAsperchalasin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H33NO4
Net Charge0
Average Mass411.542
Monoisotopic Mass411.24096
SMILESC[C@H]1[C@@H]2C(=C(C=CC[C@H](C)[C@H](O)[C@H](C)O)C(=O)[C@@H]1C)C(=O)N[C@H]2Cc1ccccc1
InChIInChI=1S/C25H33NO4/c1-14(23(28)17(4)27)9-8-12-19-22-21(15(2)16(3)24(19)29)20(26-25(22)30)13-18-10-6-5-7-11-18/h5-8,10-12,14-17,20-21,23,27-28H,9,13H2,1-4H3,(H,26,30)/t14-,15+,16+,17-,20-,21-,23-/m0/s1
InChIKeyMSJOAEFNYQKJQS-NCMBGXMJSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (30496809)
ChEBI Ontology
Outgoing Relation(s)
Asperchalasin C (CHEBI:210411) is a isoindoles (CHEBI:24897)
IUPAC Name 
(3S,3aR,4S,5R)-3-benzyl-7-[(4S,5S,6S)-5,6-dihydroxy-4-methylhept-1-enyl]-4,5-dimethyl-3,3a,4,5-tetrahydro-2H-isoindole-1,6-dione