CHEBI:204089 - Variecolorin B

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 Variecolorin B
ChEBI ID CHEBI:204089
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H30ClN3O3
Net Charge 0
Average Mass 443.970
Monoisotopic Mass 443.19757
InChI InChI=1S/C24H30ClN3O3/c1-7-23(3,4)20-16(12-18-22(30)26-13(2)21(29)28-18)15-10-14(8-9-17(15)27-20)11-19(25)24(5,6)31/h7-10,12-13,19,27,31H,1,11H2,2-6H3,(H,26,30)(H,28,29)/b18-12-/t13-,19+/m0/s1
InChIKey VIKMWNKSZYUXNW-RKFKHAPCSA-N
SMILES Cl[C@@H](C(O)(C)C)CC1=CC2=C(NC(=C2/C=C/3\NC(=O)[C@H](C)NC3=O)C(C=C)(C)C)C=C1
Metabolite of Species Details
Aspergillus stellatus (NCBI:txid1549217) See: PubMed
ChEBI Ontology
Outgoing Variecolorin B (CHEBI:204089) has functional parent α-amino acid (CHEBI:33704)
Variecolorin B (CHEBI:204089) is a organonitrogen compound (CHEBI:35352)
Variecolorin B (CHEBI:204089) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3Z,6S)-3-[[5-[(2R)-2-chloro-3-hydroxy-3-methylbutyl]-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-6-methylpiperazine-2,5-dione
Manual Xref Database
23311304 ChemSpider
View more database links