EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:218522 - Caruilignan D

ChEBI IDCHEBI:218522
ChEBI NameCaruilignan D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O6
Net Charge0
Average Mass280.276
Monoisotopic Mass280.09469
SMILESCOc1cc([C@@H]2OC[C@@H]3C(=O)OC[C@@H]32)cc(OC)c1O
InChIInChI=1S/C14H16O6/c1-17-10-3-7(4-11(18-2)12(10)15)13-8-5-20-14(16)9(8)6-19-13/h3-4,8-9,13,15H,5-6H2,1-2H3/t8-,9-,13-/m0/s1
InChIKeyAUXYOVQIZNPKSO-RVBZMBCESA-N
Species of MetaboliteComponentSourceComments
Daldinia concentrica (ncbitaxon:42361) - PubMed (12502330)
ChEBI Ontology
Outgoing Relation(s)
Caruilignan D (CHEBI:218522) is a lactone (CHEBI:25000)
Caruilignan D (CHEBI:218522) is a lignan (CHEBI:25036)
IUPAC Name 
(3R,3aR,6aR)-3-(4-hydroxy-3,5-dimethoxyphenyl)-3,3a,4,6a-tetrahydro-1H-uro[3,4-c]uran-6-one
Manual XrefsDatabases
9025623ChemSpider