EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:174799 - Mammea B/BD

ChEBI IDCHEBI:174799
ChEBI NameMammea B/BD
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H26O5
Net Charge0
Average Mass358.434
Monoisotopic Mass358.17802
SMILESCCCc1cc(=O)oc2c(C(=O)C(C)C)c(O)c(CC=C(C)C)c(O)c12
InChIInChI=1S/C21H26O5/c1-6-7-13-10-15(22)26-21-16(13)19(24)14(9-8-11(2)3)20(25)17(21)18(23)12(4)5/h8,10,12,24-25H,6-7,9H2,1-5H3
InChIKeyFLFMHVIZGHIVEJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Mammea B/BD (CHEBI:174799) is a hydroxycoumarin (CHEBI:37912)
IUPAC Name 
5,7-dihydroxy-6-(3-methylbut-2-enyl)-8-(2-methylpropanoyl)-4-propylchromen-2-one
Manual XrefsDatabases
30777041ChemSpider
HMDB0034096HMDB