EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:194355 - 11-O-acetylcyathin A3

ChEBI IDCHEBI:194355
ChEBI Name11-O-acetylcyathin A3
Stars
ASCII Name11-O-acetylcyathin A3
DefinitionMajor species at pH 7.3
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC22H32O4
Net Charge0
Average Mass360.494
Monoisotopic Mass360.23006
SMILES[H][C@]12C[C@@H](OC(C)=O)C(CO)=CC(=O)[C@]1(C)CC[C@@]1(C)CCC(C(C)C)=C12
InChIInChI=1S/C22H32O4/c1-13(2)16-6-7-21(4)8-9-22(5)17(20(16)21)11-18(26-14(3)24)15(12-23)10-19(22)25/h10,13,17-18,23H,6-9,11-12H2,1-5H3/t17-,18-,21-,22-/m1/s1
InChIKeyXWNYJTMVXNAWFA-MCEIDBOGSA-N
ChEBI Ontology
Outgoing Relation(s)
11-O-acetylcyathin A3 (CHEBI:194355) is a carbotricyclic compound (CHEBI:38032)
11-O-acetylcyathin A3 (CHEBI:194355) is a diterpene (CHEBI:35190)
11-O-acetylcyathin A3 (CHEBI:194355) is a polycyclic olefin (CHEBI:35714)
UniProt Name  Source
11-O-acetylcyathin A3UniProt
Manual XrefsDatabases
CPD-26072MetaCyc
Citations