EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:181025 - [2-(3'-Ethenyl-3',5-dimethyl-2,4,5'-trioxospiro[chromene-3,2'-cyclopentane]-1'-yl)-3-hydroxypropyl] acetate

ChEBI IDCHEBI:181025
ChEBI Name[2-(3'-Ethenyl-3',5-dimethyl-2,4,5'-trioxospiro[chromene-3,2'-cyclopentane]-1'-yl)-3-hydroxypropyl] acetate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24O7
Net Charge0
Average Mass400.427
Monoisotopic Mass400.15220
SMILESC=CC1(C)CC(=O)C(C(CO)COC(C)=O)C12C(=O)Oc1cccc(C)c1C2=O
InChIInChI=1S/C22H24O7/c1-5-21(4)9-15(25)18(14(10-23)11-28-13(3)24)22(21)19(26)17-12(2)7-6-8-16(17)29-20(22)27/h5-8,14,18,23H,1,9-11H2,2-4H3
InChIKeySUDVQVUJMZQNHR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
[2-(3'-Ethenyl-3',5-dimethyl-2,4,5'-trioxospiro[chromene-3,2'-cyclopentane]-1'-yl)-3-hydroxypropyl] acetate (CHEBI:181025) is a chromones (CHEBI:23238)
IUPAC Name 
[2-(3'-ethenyl-3',5-dimethyl-2,4,5'-trioxospiro[chromene-3,2'-cyclopentane]-1'-yl)-3-hydroxypropyl] acetate
Manual XrefsDatabases
22370145ChemSpider