EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:221702 - Hancockiamide E

ChEBI IDCHEBI:221702
ChEBI NameHancockiamide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H34N2O7
Net Charge0
Average Mass546.620
Monoisotopic Mass546.23660
SMILESCOc1cc(C[C@H]2CN[C@@H](Cc3cc(OC)c4c(c3)OCO4)CN2C(=O)/C=C/c2ccccc2)cc(OC)c1O
InChIInChI=1S/C31H34N2O7/c1-36-25-13-22(14-26(37-2)30(25)35)12-24-17-32-23(11-21-15-27(38-3)31-28(16-21)39-19-40-31)18-33(24)29(34)10-9-20-7-5-4-6-8-20/h4-10,13-16,23-24,32,35H,11-12,17-19H2,1-3H3/b10-9+/t23-,24-/m0/s1
InChIKeyDEAWAXPRULDTJW-AUDJJSHHSA-N
Species of MetaboliteComponentSourceComments
Aspergillus hancockii (ncbitaxon:1873369) - PubMed (33242032)
ChEBI Ontology
Outgoing Relation(s)
Hancockiamide E (CHEBI:221702) has functional parent cinnamic acid (CHEBI:27386)
Hancockiamide E (CHEBI:221702) is a olefinic compound (CHEBI:78840)