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CHEBI:2996 - Batatasin I

ChEBI IDCHEBI:2996
ChEBI NameBatatasin I
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC17H16O4
Net Charge0
Average Mass284.311
Monoisotopic Mass284.10486
SMILESCOc1cc(OC)c2c(ccc3cc(OC)c(O)cc32)c1
InChIInChI=1S/C17H16O4/c1-19-12-6-11-5-4-10-7-15(20-2)14(18)9-13(10)17(11)16(8-12)21-3/h4-9,18H,1-3H3
InChIKeyKGYHMWVRKYFQQR-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)
Batatasin I (CHEBI:2996) is a phenanthrol (CHEBI:25962)
Synonyms  Source
Batatasin IKEGG COMPOUND
2,5,7-Trimethoxyphenanthren-3-olKEGG COMPOUND
Manual XrefsDatabases
C10246KEGG COMPOUND
C00000325KNApSAcK
HMDB0038778HMDB
Registry NumbersSources
CAS:51415-00-0KEGG COMPOUND