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CHEBI:210417 - Asperchalasin D

ChEBI IDCHEBI:210417
ChEBI NameAsperchalasin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H39NO6
Net Charge0
Average Mass497.632
Monoisotopic Mass497.27774
SMILESCOC(C[C@@](C)(O)C(=O)[C@@H](C)CC=CC1=C2C(=O)N[C@@H](Cc3ccccc3)[C@@H]2[C@H](C)[C@@H](C)C1=O)OC
InChIInChI=1S/C29H39NO6/c1-17(27(32)29(4,34)16-23(35-5)36-6)11-10-14-21-25-24(18(2)19(3)26(21)31)22(30-28(25)33)15-20-12-8-7-9-13-20/h7-10,12-14,17-19,22-24,34H,11,15-16H2,1-6H3,(H,30,33)/t17-,18+,19+,22-,24-,29+/m0/s1
InChIKeyCQURLXDHXGWBFX-MFSHMBGISA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - PubMed (30496809)
ChEBI Ontology
Outgoing Relation(s)
Asperchalasin D (CHEBI:210417) is a isoindoles (CHEBI:24897)
IUPAC Name 
(3S,3aR,4S,5R)-3-benzyl-7-[(4S,6R)-6-hydroxy-8,8-dimethoxy-4,6-dimethyl-5-oxooct-1-enyl]-4,5-dimethyl-3,3a,4,5-tetrahydro-2H-isoindole-1,6-dione