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CHEBI:210422 - Asperchalasin E

ChEBI IDCHEBI:210422
ChEBI NameAsperchalasin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H31NO4
Net Charge0
Average Mass433.548
Monoisotopic Mass433.22531
SMILESCC1=CC(=O)O[C@H]1[C@@H](C)CC=CC1=C2C(=O)N[C@@H](Cc3ccccc3)[C@@H]2[C@H](C)[C@@H](C)C1=O
InChIInChI=1S/C27H31NO4/c1-15(26-16(2)13-22(29)32-26)9-8-12-20-24-23(17(3)18(4)25(20)30)21(28-27(24)31)14-19-10-6-5-7-11-19/h5-8,10-13,15,17-18,21,23,26H,9,14H2,1-4H3,(H,28,31)/t15-,17+,18+,21-,23-,26-/m0/s1
InChIKeyRXAJKSACXWCNBY-WHUQXQLFSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (30496809)
ChEBI Ontology
Outgoing Relation(s)
Asperchalasin E (CHEBI:210422) is a isoindoles (CHEBI:24897)
IUPAC Name 
(3S,3aR,4S,5R)-3-benzyl-4,5-dimethyl-7-[(4S)-4-[(2S)-3-methyl-5-oxo-2H-uran-2-yl]pent-1-enyl]-3,3a,4,5-tetrahydro-2H-isoindole-1,6-dione