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CHEBI:3917 - Cristacarpin

Default Structure
ChEBI IDCHEBI:3917
ChEBI NameCristacarpin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H22O5
Net Charge0
Average Mass354.402
Monoisotopic Mass354.14672
SMILES[H][C@@]12Oc3c(ccc(OC)c3CC=C(C)C)[C@]1(O)COc1cc(O)ccc12
InChIInChI=1S/C21H22O5/c1-12(2)4-6-14-17(24-3)9-8-16-19(14)26-20-15-7-5-13(22)10-18(15)25-11-21(16,20)23/h4-5,7-10,20,22-23H,6,11H2,1-3H3/t20-,21+/m0/s1
InChIKeyZHPYEBFYLDGZKF-LEWJYISDSA-N
ChEBI Ontology
Outgoing Relation(s)
Cristacarpin (CHEBI:3917) is a pterocarpans (CHEBI:26377)
Synonym  Source
CristacarpinKEGG COMPOUND
Manual XrefsDatabases
C00002515KNApSAcK
C10206KEGG COMPOUND
Registry NumbersSources
CAS:74515-47-2KEGG COMPOUND