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CHEBI:7779 - Orchinol

ChEBI IDCHEBI:7779
ChEBI NameOrchinol
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC16H16O3
Net Charge0
Average Mass256.301
Monoisotopic Mass256.10994
SMILESCOc1cc2c(c(OC)c1)-c1ccc(O)cc1CC2
InChIInChI=1S/C16H16O3/c1-18-13-8-11-4-3-10-7-12(17)5-6-14(10)16(11)15(9-13)19-2/h5-9,17H,3-4H2,1-2H3
InChIKeyHOVUVTNDNLNINP-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)
Orchinol (CHEBI:7779) is a phenanthrenes (CHEBI:25961)
Synonyms  Source
OrchinolKEGG COMPOUND
9,10-Dihydro-5,7-dimethoxyphenanthren-2-olKEGG COMPOUND
Manual XrefsDatabases
C10272KEGG COMPOUND
C00002892KNApSAcK
Registry NumbersSources
CAS:41060-20-2KEGG COMPOUND