CHEBI:212084 - Cristatumin F

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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 F
ChEBI ID CHEBI:212084
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H43N3O2
Net Charge 0
Average Mass 489.704
Monoisotopic Mass 489.33553
InChI InChI=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
InChIKey YLYVEDGFLNUJTJ-IZZNHLLZSA-N
SMILES O=C1N[C@H](C(=O)N[C@@H]1C(C)C)CC=2C3=C(C(=CC(=C3)CC=C(C)C)CC=C(C)C)NC2C(C=C)(C)C
Metabolite of Species Details
Aspergillus cristatus (NCBI:txid573508) See: PubMed
ChEBI Ontology
Outgoing 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
Manual Xref Database
78438538 ChemSpider
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