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CHEBI:210403 - Asperchalasin A

ChEBI IDCHEBI:210403
ChEBI NameAsperchalasin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H37NO5
Net Charge0
Average Mass443.584
Monoisotopic Mass443.26717
SMILESCO[C@@H]1C(C)=C(C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@@]2(O)[C@H]1/C=C/C[C@H](C)[C@H](O)[C@H](C)O
InChIInChI=1S/C26H37NO5/c1-15(23(29)18(4)28)10-9-13-20-24(32-5)17(3)16(2)22-21(27-25(30)26(20,22)31)14-19-11-7-6-8-12-19/h6-9,11-13,15,18,20-24,28-29,31H,10,14H2,1-5H3,(H,27,30)/b13-9+/t15-,18-,20-,21-,22-,23-,24+,26+/m0/s1
InChIKeyLXRTXCAMHFXNMG-VMSFEXISSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (30496809)
ChEBI Ontology
Outgoing Relation(s)
Asperchalasin A (CHEBI:210403) is a isoindoles (CHEBI:24897)
IUPAC Name 
(3S,3aS,6S,7S,7aS)-3-benzyl-7-[(E,4S,5S,6S)-5,6-dihydroxy-4-methylhept-1-enyl]-7a-hydroxy-6-methoxy-4,5-dimethyl-3,3a,6,7-tetrahydro-2H-isoindol-1-one