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CHEBI:2598 - Allogibberic acid

Default Structure
ChEBI IDCHEBI:2598
ChEBI NameAllogibberic acid
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC18H20O3
Net Charge0
Average Mass284.355
Monoisotopic Mass284.14124
SMILES[H][C@]12CC[C@]3(O)C[C@]1(CC3=C)[C@@H](C(=O)O)c1c(C)cccc12
InChIInChI=1S/C18H20O3/c1-10-4-3-5-12-13-6-7-18(21)9-17(13,8-11(18)2)15(14(10)12)16(19)20/h3-5,13,15,21H,2,6-9H2,1H3,(H,19,20)/t13-,15-,17+,18+/m1/s1
InChIKeyIFYWTLQMNWNCFH-WCZJQEMASA-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)
Allogibberic acid (CHEBI:2598) is a fluorenes (CHEBI:24059)
Synonym  Source
Allogibberic acidKEGG COMPOUND
Manual XrefsDatabases
C00003402KNApSAcK
C09061KEGG COMPOUND
Registry NumbersSources
CAS:427-79-2KEGG COMPOUND