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CHEBI:217501 - Luchunazine C

ChEBI IDCHEBI:217501
ChEBI NameLuchunazine C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC54H52N6O10
Net Charge0
Average Mass945.042
Monoisotopic Mass944.37449
SMILESCOC(=O)C(CC(Oc1nc2ccccc2c1C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC1=O)c1c(O)ccc(C(C)=O)c1-c1cccc2c(C[C@@H]3NC(=O)[C@@H](Cc4ccccc4)NC3=O)cnc12)OC
InChIInChI=1S/C54H52N6O10/c1-29(61)33-21-22-43(62)47(46(33)36-19-12-18-34-32(28-55-48(34)36)25-41-51(65)56-39(49(63)58-41)23-30-13-6-4-7-14-30)44(27-45(68-2)54(67)69-3)70-53-37(35-17-10-11-20-38(35)60-53)26-42-52(66)57-40(50(64)59-42)24-31-15-8-5-9-16-31/h4-22,28,39-42,44-45,55,60,62H,23-27H2,1-3H3,(H,56,65)(H,57,66)(H,58,63)(H,59,64)/t39-,40-,41+,42+,44?,45?/m1/s1
InChIKeyQDQRECYOOWEDRI-AXMUHOEVSA-N
Species of MetaboliteComponentSourceComments
Aspergillus luchuensis (ncbitaxon:1069201) - PubMed (29374569)
ChEBI Ontology
Outgoing Relation(s)
Luchunazine C (CHEBI:217501) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
methyl 4-[3-acetyl-2-[3-[[(2S,5R)-5-benzyl-3,6-dioxopiperazin-2-yl]methyl]-1H-indol-7-yl]-6-hydroxyphenyl]-4-[[3-[[(2S,5R)-5-benzyl-3,6-dioxopiperazin-2-yl]methyl]-1H-indol-2-yl]oxy]-2-methoxybutanoate