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CHEBI:222037 - Variecolorin A

ChEBI IDCHEBI:222037
ChEBI NameVariecolorin A
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SubmitterMetaboLights
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FormulaC24H30ClN3O3
Net Charge0
Average Mass443.975
Monoisotopic Mass443.19757
SMILESC=CC(C)(C)c1nc2ccc(C[C@@H](O)C(C)(C)Cl)cc2c1/C=C1\NC(=O)[C@H](C)NC1=O
InChIInChI=1S/C24H30ClN3O3/c1-7-23(3,4)20-16(12-18-22(31)26-13(2)21(30)28-18)15-10-14(8-9-17(15)27-20)11-19(29)24(5,6)25/h7-10,12-13,19,27,29H,1,11H2,2-6H3,(H,26,31)(H,28,30)/b18-12-/t13-,19+/m0/s1
InChIKeyDKFVASQTSIAAEU-RKFKHAPCSA-N
Species of MetaboliteComponentSourceComments
Aspergillus stellatus (ncbitaxon:1549217) - PubMed (17896816)
ChEBI Ontology
Outgoing Relation(s)
Variecolorin A (CHEBI:222037) has functional parent α-amino acid (CHEBI:33704)
Variecolorin A (CHEBI:222037) is a organonitrogen compound (CHEBI:35352)
Variecolorin A (CHEBI:222037) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3Z,6S)-3-[[5-[(2R)-3-chloro-2-hydroxy-3-methylbutyl]-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-6-methylpiperazine-2,5-dione
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