EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:207743 - Arthrinin B

ChEBI IDCHEBI:207743
ChEBI NameArthrinin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22O4
Net Charge0
Average Mass326.392
Monoisotopic Mass326.15181
SMILESC=Cc1c(C)cc2c(c1O)[C@]13C[C@H]1CC[C@@]1(C)C(=O)O[C@H]([C@H]2O)[C@@H]31
InChIInChI=1S/C20H22O4/c1-4-11-9(2)7-12-13(14(11)21)20-8-10(20)5-6-19(3)17(20)16(15(12)22)24-18(19)23/h4,7,10,15-17,21-22H,1,5-6,8H2,2-3H3/t10-,15+,16-,17-,19-,20+/m1/s1
InChIKeyWUKPUPVPIZJJGU-RVBQMODWSA-N
Species of MetaboliteComponentSourceComments
Arthriniumspecies (ncbitaxon:1756131) - PubMed (21741249)
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)
Arthrinin B (CHEBI:207743) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
(1R,8S,9S,12R,15R,17S)-4-ethenyl-3,8-dihydroxy-5,12-dimethyl-10-oxapentacyclo[7.7.1.01,15.02,7.012,17]heptadeca-2(7),3,5-trien-11-one
Manual XrefsDatabases
26633751ChemSpider