EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:3208 - Budlein A

ChEBI IDCHEBI:3208
ChEBI NameBudlein A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC20H22O7
Net Charge0
Average Mass374.389
Monoisotopic Mass374.13655
SMILES[H][C@@]12/C=C(/CO)C3=CC(=O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@@]1([H])C(=C)C(=O)O2)O3
InChIInChI=1S/C20H22O7/c1-5-10(2)18(23)26-15-8-20(4)16(22)7-13(27-20)12(9-21)6-14-17(15)11(3)19(24)25-14/h5-7,14-15,17,21H,3,8-9H2,1-2,4H3/b10-5-,12-6-/t14-,15-,17+,20-/m1/s1
InChIKeyBMVJFNLJSZHNNS-ZXRHVTAXSA-N
ChEBI Ontology
Outgoing Relation(s)
Budlein A (CHEBI:3208) is a sesquiterpenoid (CHEBI:26658)
Synonym  Source
Budlein AKEGG COMPOUND
Manual XrefsDatabases
C09351KEGG COMPOUND
C00003226KNApSAcK
Registry NumbersSources
CAS:59481-48-0KEGG COMPOUND