EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:222253 - Fluostatin I

ChEBI IDCHEBI:222253
ChEBI NameFluostatin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H20O7
Net Charge0
Average Mass396.395
Monoisotopic Mass396.12090
SMILESCC(C)C(=O)O[C@@H]1c2c(cc(O)c3c2C(=O)c2cccc(O)c2-3)C(=O)[C@H](C)[C@H]1O
InChIInChI=1S/C22H20O7/c1-8(2)22(28)29-21-15-11(18(25)9(3)19(21)26)7-13(24)16-14-10(20(27)17(15)16)5-4-6-12(14)23/h4-9,19,21,23-24,26H,1-3H3/t9-,19+,21+/m0/s1
InChIKeyZWZDPCODGBCKJZ-VRPSQQPASA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - PubMed (23136829)
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)
Fluostatin I (CHEBI:222253) is a fluorenes (CHEBI:24059)
IUPAC Name 
[(1R,2R,3R)-2,6,7-trihydroxy-3-methyl-4,11-dioxo-2,3-dihydro-1H-benzo[a]luoren-1-yl] 2-methylpropanoate
Manual XrefsDatabases
28644194ChemSpider