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CHEBI:4044 - Cypripedin

ChEBI IDCHEBI:4044
ChEBI NameCypripedin
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC16H12O5
Net Charge0
Average Mass284.267
Monoisotopic Mass284.06847
SMILESCOC1=CC(=O)c2c(ccc3c(OC)c(O)ccc23)C1=O
InChIInChI=1S/C16H12O5/c1-20-13-7-12(18)14-8-5-6-11(17)16(21-2)9(8)3-4-10(14)15(13)19/h3-7,17H,1-2H3
InChIKeyBMYGDZTYQFCHKI-UHFFFAOYSA-N
Roles Classification
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
ChEBI Ontology
Outgoing Relation(s)
Cypripedin (CHEBI:4044) is a phenanthrol (CHEBI:25962)
Synonym  Source
CypripedinKEGG COMPOUND
Manual XrefsDatabases
C10323KEGG COMPOUND
C00002812KNApSAcK
Registry NumbersSources
CAS:8031-72-9KEGG COMPOUND