EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:216306 - Pyrazolofluostatin A

ChEBI IDCHEBI:216306
ChEBI NamePyrazolofluostatin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H14N2O6
Net Charge0
Average Mass354.318
Monoisotopic Mass354.08519
SMILESC[C@]1(O)c2nnc3c(O)c4c(c(c23)[C@@H](O)[C@@H]1O)C(=O)c1cccc(O)c1-4
InChIInChI=1S/C18H14N2O6/c1-18(26)16-11-10(15(24)17(18)25)9-8(14(23)12(11)19-20-16)7-5(13(9)22)3-2-4-6(7)21/h2-4,15,17,21,23-26H,1H3,(H,19,20)/t15-,17+,18+/m1/s1
InChIKeyQVOSMRYNYHXRDM-NJAFHUGGSA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - PubMed (28075605)
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)
Pyrazolofluostatin A (CHEBI:216306) is a fluorenes (CHEBI:24059)
IUPAC Name 
(16S,17S,18R)-8,11,16,17,18-pentahydroxy-16-methyl-13,14-diazapentacyclo[10.6.1.02,10.04,9.015,19]nonadeca-1,4(9),5,7,10,12,15(19)-heptaen-3-one
Manual XrefsDatabases
58826999ChemSpider