EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:216852 - Ochuscin D

ChEBI IDCHEBI:216852
ChEBI NameOchuscin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H25NO8
Net Charge0
Average Mass419.430
Monoisotopic Mass419.15802
SMILESCO[C@@]12CC(=O)C(C(C)=NCCO)=C(O)[C@]1(C)c1c(O)c(C)c(O)c(C(C)=O)c1O2
InChIInChI=1S/C21H25NO8/c1-9-16(26)14(11(3)24)18-15(17(9)27)20(4)19(28)13(10(2)22-6-7-23)12(25)8-21(20,29-5)30-18/h23,26-28H,6-8H2,1-5H3/t20-,21+/m0/s1
InChIKeyLNWZVSAYZOLNGT-LEWJYISDSA-N
Species of MetaboliteComponentSourceComments
Scolecobasidium (ncbitaxon:37940) - DOI (10.1016/j.tet.2020.131066)
ChEBI Ontology
Outgoing Relation(s)
Ochuscin D (CHEBI:216852) is a acetophenones (CHEBI:22187)
IUPAC Name 
(4aR,9bS)-6-acetyl-1,7,9-trihydroxy-2-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-4a-methoxy-8,9b-dimethyl-4H-dibenzouran-3-one