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CHEBI:216689 - (-)-versicalin A

ChEBI IDCHEBI:216689
ChEBI Name(-)-versicalin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H31NO4
Net Charge0
Average Mass421.537
Monoisotopic Mass421.22531
SMILESCOc1cccc2c1[C@H](C1=C(O)C=C(C)C(CC=C(C)C)(CC=C(C)C)C1=O)NC2=O
InChIInChI=1S/C26H31NO4/c1-15(2)10-12-26(13-11-16(3)4)17(5)14-19(28)22(24(26)29)23-21-18(25(30)27-23)8-7-9-20(21)31-6/h7-11,14,23,28H,12-13H2,1-6H3,(H,27,30)/t23-/m1/s1
InChIKeyOJTTUHQAYGVMFX-HSZRJFAPSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.tetlet.2020.152219)
ChEBI Ontology
Outgoing Relation(s)
(-)-versicalin A (CHEBI:216689) is a isoindoles (CHEBI:24897)
IUPAC Name 
(3R)-3-[2-hydroxy-4-methyl-5,5-bis(3-methylbut-2-enyl)-6-oxocyclohexa-1,3-dien-1-yl]-4-methoxy-2,3-dihydroisoindol-1-one