EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:2880 - asperlicin

ChEBI IDCHEBI:2880
ChEBI Nameasperlicin
Stars
Last Modified27 January 2016
DownloadsMolfile
FormulaC31H29N5O4
Net Charge0
Average Mass535.604
Monoisotopic Mass535.22195
SMILES[H][C@@]1(CC(C)C)NC2N(C1=O)c1ccccc1C2(O)C[C@@H]1NC(=O)c2ccccc2-n2c1nc1ccccc1c2=O
InChIInChI=1S/C31H29N5O4/c1-17(2)15-22-29(39)36-25-14-8-5-11-20(25)31(40,30(36)34-22)16-23-26-32-21-12-6-3-9-18(21)28(38)35(26)24-13-7-4-10-19(24)27(37)33-23/h3-14,17,22-23,30,34,40H,15-16H2,1-2H3,(H,33,37)/t22-,23-,30?,31?/m0/s1
InChIKeyMGMRIOLWEROPJY-FEMCMSFOSA-N
Wikipedia
Roles Classification
Biological Roles:
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
asperlicin (CHEBI:2880) has role Aspergillus metabolite (CHEBI:76956)
asperlicin (CHEBI:2880) is a asperlicins (CHEBI:91003)
asperlicin (CHEBI:2880) is a organic heterotetracyclic compound (CHEBI:38163)
Synonym  Source
AsperlicinKEGG COMPOUND
Manual XrefsDatabases
C11688KEGG COMPOUND
C00017731KNApSAcK
AsperlicinWikipedia
Registry NumbersSources
CAS:93413-04-8KEGG COMPOUND