EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:198397 - (R)-resistoflavin

ChEBI IDCHEBI:198397
ChEBI Name(R)-resistoflavin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H16O7
Net Charge0
Average Mass392.363
Monoisotopic Mass392.08960
SMILESCc1cc(O)c2c3c1C(=O)C=C1C(C)(C)C(=O)c4c(O)cc(O)c(c4[C@@]13O)C2=O
InChIInChI=1S/C22H16O7/c1-7-4-8(23)14-17-13(7)11(26)6-12-21(2,3)20(28)16-10(25)5-9(24)15(19(14)27)18(16)22(12,17)29/h4-6,23-25,29H,1-3H3/t22-/m1/s1
InChIKeyFRXZTKQCZPGFDX-JOCHJYFZSA-N
Species of MetaboliteComponentSourceComments
Streptomyces resistomycificus (ncbitaxon:67356) - DOI (10.1002/zfch.19700100607)
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)
(R)-resistoflavin (CHEBI:198397) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
(17R)-2,12,14,17-tetrahydroxy-4,9,9-trimethylpentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),7,11,13,15-heptaene-6,10,19-trione
Manual XrefsDatabases
59701702ChemSpider