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CHEBI:5983 - Isobatatasin I

ChEBI IDCHEBI:5983
ChEBI NameIsobatatasin I
Stars
Last Modified30 September 2020
DownloadsMolfile
FormulaC17H16O4
Net Charge0
Average Mass284.311
Monoisotopic Mass284.10486
SMILESCOc1cc(OC)c2c(ccc3cc(O)c(OC)cc32)c1
InChIInChI=1S/C17H16O4/c1-19-12-6-11-5-4-10-7-14(18)15(20-2)9-13(10)17(11)16(8-12)21-3/h4-9,18H,1-3H3
InChIKeyBQUYXVYTCAIRQJ-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)
Isobatatasin I (CHEBI:5983) is a phenanthrol (CHEBI:25962)
Synonym  Source
Isobatatasin IKEGG COMPOUND
Manual XrefsDatabases
C10265KEGG COMPOUND
C00002886KNApSAcK
Registry NumbersSources
CAS:39499-84-8KEGG COMPOUND