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CHEBI:210409 - Asperchalasin B

ChEBI IDCHEBI:210409
ChEBI NameAsperchalasin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H33NO4
Net Charge0
Average Mass411.542
Monoisotopic Mass411.24096
SMILESC=C1C(C)=C[C@H](C=CC[C@H](C)[C@H](O)[C@H](C)O)[C@]2(O)C(=O)N[C@@H](Cc3ccccc3)[C@H]12
InChIInChI=1S/C25H33NO4/c1-15(23(28)18(4)27)9-8-12-20-13-16(2)17(3)22-21(26-24(29)25(20,22)30)14-19-10-6-5-7-11-19/h5-8,10-13,15,18,20-23,27-28,30H,3,9,14H2,1-2,4H3,(H,26,29)/t15-,18-,20-,21-,22-,23-,25+/m0/s1
InChIKeyFEDMSGDWDATVNX-XGVRNQFVSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (30496809)
ChEBI Ontology
Outgoing Relation(s)
Asperchalasin B (CHEBI:210409) is a isoindoles (CHEBI:24897)
IUPAC Name 
(3S,3aS,7S,7aR)-3-benzyl-7-[(4S,5S,6S)-5,6-dihydroxy-4-methylhept-1-enyl]-7a-hydroxy-5-methyl-4-methylidene-2,3,3a,7-tetrahydroisoindol-1-one