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CHEBI:189816 - Adlumidiceine

ChEBI IDCHEBI:189816
ChEBI NameAdlumidiceine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H21NO7
Net Charge0
Average Mass399.399
Monoisotopic Mass399.13180
SMILESCN(C)CCc1cc2c(cc1CC(=O)c1ccc3c(c1C(=O)O)OCO3)OCO2
InChIInChI=1S/C21H21NO7/c1-22(2)6-5-12-8-17-18(28-10-27-17)9-13(12)7-15(23)14-3-4-16-20(29-11-26-16)19(14)21(24)25/h3-4,8-9H,5-7,10-11H2,1-2H3,(H,24,25)
InChIKeyZWRGIDKDYJXLHP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sarcophaga peregrina (ncbitaxon:7386) Whole Organism (NCIT:C13413) MetaboLights (MTBLS4102)
ChEBI Ontology
Outgoing Relation(s)
Adlumidiceine (CHEBI:189816) is a stilbenoid (CHEBI:26776)
IUPAC Name 
5-[2-[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]acetyl]-1,3-benzodioxole-4-carboxylic acid
Manual XrefsDatabases
HMDB0040552HMDB
30777492ChemSpider