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CHEBI:211932 - Cristatin A

ChEBI IDCHEBI:211932
ChEBI NameCristatin A
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SubmitterMetaboLights
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FormulaC29H37N3O2
Net Charge0
Average Mass459.634
Monoisotopic Mass459.28858
SMILESC=CC(C)(C)c1nc2c(CC=C(C)C)c(CC=C(C)C)ccc2c1/C=C1\NC(=O)[C@H](C)NC1=O
InChIInChI=1S/C29H37N3O2/c1-9-29(7,8)26-23(16-24-28(34)30-19(6)27(33)31-24)22-15-13-20(12-10-17(2)3)21(25(22)32-26)14-11-18(4)5/h9-11,13,15-16,19,32H,1,12,14H2,2-8H3,(H,30,34)(H,31,33)/b24-16-/t19-/m0/s1
InChIKeyRERRWNNFPWXUTC-UZXDDYOISA-N
Species of MetaboliteComponentSourceComments
Aspergillus restrictus (ncbitaxon:5064) - PubMed (17139096)
ChEBI Ontology
Outgoing Relation(s)
Cristatin A (CHEBI:211932) has functional parent α-amino acid (CHEBI:33704)
Cristatin A (CHEBI:211932) is a organonitrogen compound (CHEBI:35352)
Cristatin A (CHEBI:211932) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3S,6Z)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-6,7-bis(3-methylbut-2-enyl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione
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552273ChemSpider