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CHEBI:200134 - Arthrinin A

ChEBI IDCHEBI:200134
ChEBI NameArthrinin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22O4
Net Charge0
Average Mass326.392
Monoisotopic Mass326.15181
SMILESC=Cc1c(C)cc(O)c2c1[C@H](O)[C@H]1OC(=O)[C@]3(C)CC[C@@H]4C[C@@]24[C@H]13
InChIInChI=1S/C20H22O4/c1-4-11-9(2)7-12(21)14-13(11)15(22)16-17-19(3,18(23)24-16)6-5-10-8-20(10,14)17/h4,7,10,15-17,21-22H,1,5-6,8H2,2-3H3/t10-,15+,16-,17-,19-,20+/m1/s1
InChIKeyBPOZHKIQPZGPLK-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 A (CHEBI:200134) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
(1R,8S,9S,12R,15R,17S)-6-ethenyl-3,8-dihydroxy-5,12-dimethyl-10-oxapentacyclo[7.7.1.01,15.02,7.012,17]heptadeca-2,4,6-trien-11-one
Manual XrefsDatabases
26633270ChemSpider