CHEBI:216695 - (+)-versicalin A

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ChEBI Name (+)-versicalin A
ChEBI ID CHEBI:216695
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H31NO4
Net Charge 0
Average Mass 421.537
Monoisotopic Mass 421.22531
InChI InChI=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-/m0/s1
InChIKey OJTTUHQAYGVMFX-QHCPKHFHSA-N
SMILES O=C1C(=C(O)C=C(C1(CC=C(C)C)CC=C(C)C)C)[C@H]2NC(=O)C=3C2=C(OC)C=CC3
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: DOI
ChEBI Ontology
Outgoing (+)-versicalin A (CHEBI:216695) is a isoindoles (CHEBI:24897)
IUPAC Name
(3S)-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