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CHEBI:212084 - Cristatumin F

ChEBI IDCHEBI:212084
ChEBI NameCristatumin F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H43N3O2
Net Charge0
Average Mass489.704
Monoisotopic Mass489.33553
SMILESC=CC(C)(C)c1nc2c(CC=C(C)C)cc(CC=C(C)C)cc2c1C[C@@H]1NC(=O)[C@@H](C(C)C)NC1=O
InChIInChI=1S/C31H43N3O2/c1-10-31(8,9)28-24(17-25-29(35)34-26(20(6)7)30(36)32-25)23-16-21(13-11-18(2)3)15-22(27(23)33-28)14-12-19(4)5/h10-12,15-16,20,25-26,33H,1,13-14,17H2,2-9H3,(H,32,36)(H,34,35)/t25-,26+/m0/s1
InChIKeyYLYVEDGFLNUJTJ-IZZNHLLZSA-N
Species of MetaboliteComponentSourceComments
Aspergillus cristatus (ncbitaxon:573508) - PubMed (25372398)
ChEBI Ontology
Outgoing Relation(s)
Cristatumin F (CHEBI:212084) has functional parent α-amino acid (CHEBI:33704)
Cristatumin F (CHEBI:212084) is a organonitrogen compound (CHEBI:35352)
Cristatumin F (CHEBI:212084) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,6R)-3-[[2-(2-methylbut-3-en-2-yl)-5,7-bis(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]-6-propan-2-ylpiperazine-2,5-dione
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78438538ChemSpider