CHEBI:220099 - Rubrumazine A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 Rubrumazine A
ChEBI ID CHEBI:220099
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H33N3O4
Net Charge 0
Average Mass 439.556
Monoisotopic Mass 439.24711
InChI InChI=1S/C25H33N3O4/c1-8-24(3,4)21-17(13-18-23(31)26-14(2)22(30)27-18)16-11-9-10-15(20(16)28-21)12-19(29)25(5,6)32-7/h8-11,13-14,19,28-29H,1,12H2,2-7H3,(H,26,31)(H,27,30)/b18-13-/t14-,19-/m0/s1
InChIKey GLTPMFUAKYLYRX-LZDXRCLUSA-N
SMILES O=C/1N[C@H](C(=O)N\C1=C/C=2C3=C(C(=CC=C3)C[C@H](O)C(OC)(C)C)NC2C(C=C)(C)C)C
Metabolite of Species Details
Eurotium (NCBI:txid28569) See: PubMed
ChEBI Ontology
Outgoing Rubrumazine A (CHEBI:220099) has functional parent α-amino acid (CHEBI:33704)
Rubrumazine A (CHEBI:220099) is a organonitrogen compound (CHEBI:35352)
Rubrumazine A (CHEBI:220099) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(3Z,6S)-3-[[7-[(2S)-2-hydroxy-3-methoxy-3-methylbutyl]-2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]-6-methylpiperazine-2,5-dione
Manual Xref Database
35516923 ChemSpider
View more database links