CHEBI:218810 - Cristatumin A

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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 Cristatumin A
ChEBI ID CHEBI:218810
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H21N3O3
Net Charge 0
Average Mass 339.395
Monoisotopic Mass 339.15829
InChI InChI=1S/C19H21N3O3/c1-4-19(2,3)16-12(11-7-5-6-8-13(11)20-16)9-14-17(24)22-15(10-23)18(25)21-14/h4-9,15,20,23H,1,10H2,2-3H3,(H,21,25)(H,22,24)/b14-9-/t15-/m0/s1
InChIKey QIODLACTMHCZRD-MZLJFPOFSA-N
SMILES O=C/1N[C@H](C(=O)N\C1=C/C=2C3=C(C=CC=C3)NC2C(C=C)(C)C)CO
Metabolite of Species Details
Eurotium (NCBI:txid28569) See: PubMed
ChEBI Ontology
Outgoing Cristatumin A (CHEBI:218810) has functional parent α-amino acid (CHEBI:33704)
Cristatumin A (CHEBI:218810) is a organonitrogen compound (CHEBI:35352)
Cristatumin A (CHEBI:218810) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3S,6Z)-3-(hydroxymethyl)-6-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione
Manual Xref Database
28510935 ChemSpider
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