EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:199424 - Mabetaarigenin C

ChEBI IDCHEBI:199424
ChEBI NameMabetaarigenin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H12O5
Net Charge0
Average Mass224.212
Monoisotopic Mass224.06847
SMILESC=C1OC(=O)[C@@]2([C@@H]1O)[C@H](O)C(=O)C=C[C@@H]2C
InChIInChI=1S/C11H12O5/c1-5-3-4-7(12)9(14)11(5)8(13)6(2)16-10(11)15/h3-5,8-9,13-14H,2H2,1H3/t5-,8+,9+,11-/m0/s1
InChIKeyMWZYYACVPIJBPD-GWUQXTJUSA-N
Species of MetaboliteComponentSourceComments
Massarina (ncbitaxon:45292) - PubMed (12542349)
ChEBI Ontology
Outgoing Relation(s)
Mabetaarigenin C (CHEBI:199424) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(4S,5S,6S,10S)-4,6-dihydroxy-10-methyl-3-methylidene-2-oxaspiro[4.5]dec-8-ene-1,7-dione
Manual XrefsDatabases
78440047ChemSpider