EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:217479 - Luchunazine A

ChEBI IDCHEBI:217479
ChEBI NameLuchunazine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H33N3O8
Net Charge0
Average Mass599.640
Monoisotopic Mass599.22677
SMILESCOC(C[C@@H](c1nc2ccccc2c1C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC1=O)c1c(O)ccc(C(C)=O)c1O)C(=O)O
InChIInChI=1S/C33H33N3O8/c1-17(37)19-12-13-26(38)28(30(19)39)22(16-27(44-2)33(42)43)29-21(20-10-6-7-11-23(20)34-29)15-25-32(41)35-24(31(40)36-25)14-18-8-4-3-5-9-18/h3-13,22,24-25,27,34,38-39H,14-16H2,1-2H3,(H,35,41)(H,36,40)(H,42,43)/t22-,24-,25+,27?/m1/s1
InChIKeyFAIBYFNCYHDHNL-STQNHBOGSA-N
Species of MetaboliteComponentSourceComments
Aspergillus luchuensis (ncbitaxon:1069201) - PubMed (29374569)
ChEBI Ontology
Outgoing Relation(s)
Luchunazine A (CHEBI:217479) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
(4R)-4-(3-acetyl-2,6-dihydroxyphenyl)-4-[3-[[(2S,5R)-5-benzyl-3,6-dioxopiperazin-2-yl]methyl]-1H-indol-2-yl]-2-methoxybutanoic acid