CHEBI:207064 - Versicomide C

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Versicomide C
ChEBI ID CHEBI:207064
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H27N3O4
Net Charge 0
Average Mass 373.453
Monoisotopic Mass 373.20016
InChI InChI=1S/C20H27N3O4/c1-7-12(4)20(27-6)19-21-15-9-8-13(26-5)10-14(15)18(25)23(19)16(11(2)3)17(24)22-20/h8-12,16H,7H2,1-6H3,(H,22,24)/t12-,16-,20+/m0/s1
InChIKey BXXKDKYMYMHCKH-SLSDUTBNSA-N
SMILES O=C1N2C(=NC3=C1C=C(OC)C=C3)[C@@](OC)(NC([C@@H]2C(C)C)=O)[C@H](CC)C
Metabolite of Species Details
Aspergillus (NCBI:txid5052) See: PubMed
ChEBI Ontology
Outgoing Versicomide C (CHEBI:207064) is a quinazolines (CHEBI:38530)
IUPAC Name
(1R,4S)-1-[(2S)-butan-2-yl]-1,8-dimethoxy-4-propan-2-yl-2,4-dihydropyrazino[2,1-b]quinazoline-3,6-dione
Manual Xref Database
60958440 ChemSpider
View more database links