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CHEBI:227220 - Arthrinin D

ChEBI IDCHEBI:227220
ChEBI NameArthrinin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H26O5
Net Charge0
Average Mass358.434
Monoisotopic Mass358.17802
SMILESC=Cc1c(C)cc(O)c2c1[C@H](O)[C@@H](O)[C@H]1[C@]23C[C@H]3CC[C@@]1(C)C(=O)OC
InChIInChI=1S/C21H26O5/c1-5-12-10(2)8-13(22)15-14(12)16(23)17(24)18-20(3,19(25)26-4)7-6-11-9-21(11,15)18/h5,8,11,16-18,22-24H,1,6-7,9H2,2-4H3/t11-,16+,17-,18-,20-,21+/m1/s1
InChIKeyMQEUTRGOTKQOBL-IKPCXWSHSA-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 D (CHEBI:227220) is a phenanthrenes (CHEBI:25961)
IUPAC Name 
methyl (1R,8S,9S,10S,11R,14R)-6-ethenyl-3,8,9-trihydroxy-5,11-dimethyltetracyclo[8.5.0.01,14.02,7]pentadeca-2,4,6-triene-11-carboxylate
Manual XrefsDatabases
26633807ChemSpider