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CHEBI:218165 - Preubetaomerin M

ChEBI IDCHEBI:218165
ChEBI NamePreubetaomerin M
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H16O8
Net Charge0
Average Mass396.351
Monoisotopic Mass396.08452
SMILESCO[C@@H]1CC(=O)c2cccc3c2[C@@]12Oc1ccc(O)c4c1[C@](O3)(O2)[C@H](O)CC4=O
InChIInChI=1S/C21H16O8/c1-26-16-8-11(23)9-3-2-4-13-18(9)21(16)28-14-6-5-10(22)17-12(24)7-15(25)20(27-13,29-21)19(14)17/h2-6,15-16,22,25H,7-8H2,1H3/t15-,16-,20-,21-/m1/s1
InChIKeyCOQZIFBYYMDZIZ-IMAQQZIHSA-N
Species of MetaboliteComponentSourceComments
Lasiodiplodia (ncbitaxon:66739) - PubMed (27560695)
ChEBI Ontology
Outgoing Relation(s)
Preubetaomerin M (CHEBI:218165) is a tetralins (CHEBI:36786)
IUPAC Name 
(1S,10R,11S,20R)-6,10-dihydroxy-20-methoxy-2,12,21-trioxahexacyclo[9.9.1.11,13.13,7.011,23.017,22]tricosa-3(23),4,6,13,15,17(22)-hexaene-8,18-dione
Manual XrefsDatabases
8651240ChemSpider