EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:188634 - (+)-Rubriflordilactone A

ChEBI IDCHEBI:188634
ChEBI Name(+)-Rubriflordilactone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H32O6
Net Charge0
Average Mass464.558
Monoisotopic Mass464.21989
SMILES[H][C@]12CCc3c4c(cc(c31)O[C@]([H])([C@]1([H])C=C(C)C(=O)O1)[C@H]2C)C[C@]12OC(=O)C[C@@]1([H])OC(C)(C)[C@]2([H])CC4
InChIInChI=1S/C28H32O6/c1-13-9-20(32-26(13)30)25-14(2)16-5-6-18-17-7-8-21-27(3,4)33-22-11-23(29)34-28(21,22)12-15(17)10-19(31-25)24(16)18/h9-10,14,16,20-22,25H,5-8,11-12H2,1-4H3/t14-,16+,20-,21-,22+,25-,28+/m0/s1
InChIKeyQFKYMFWLPPOWOB-MPHJNTCLSA-N
Species of MetaboliteComponentSourceComments
Phyllostachys violascens (ncbitaxon:1903417) stem (BTO:0001300) MetaboLights (MTBLS3970) Strain: Phyllostachys violascens cv. Viridisulcata
ChEBI Ontology
Outgoing Relation(s)
(+)-Rubriflordilactone A (CHEBI:188634) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(5S,8R,12R,18S,19S,20R)-6,6,19-trimethyl-18-[(2S)-4-methyl-5-oxo-2H-uran-2-yl]-7,11,17-trioxahexacyclo[14.6.1.02,14.05,12.08,12.020,23]tricosa-1,14,16(23)-trien-10-one
Manual XrefsDatabases
20162831ChemSpider