CHEBI:3917 - Cristacarpin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Cristacarpin
ChEBI ID CHEBI:3917
Stars This entity has been manually annotated by a third party.
Supplier Information ChemicalBook:CB61370782, eMolecules:36554867, ZINC000004098607
Download Molfile XML SDF
Formula C21H22O5
Net Charge 0
Average Mass 354.397
Monoisotopic Mass 354.14672
InChI InChI=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
InChIKey ZHPYEBFYLDGZKF-LEWJYISDSA-N
SMILES COc1ccc2c(O[C@H]3c4ccc(O)cc4OC[C@@]23O)c1CC=C(C)C
ChEBI Ontology
Outgoing Cristacarpin (CHEBI:3917) is a pterocarpans (CHEBI:26377)
Synonym Source
Cristacarpin KEGG COMPOUND
Manual Xrefs Databases
C00002515 KNApSAcK
C10206 KEGG COMPOUND
View more database links
Registry Number Type Source
74515-47-2 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014