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CHEBI:204770 - 3'-O-demethylpreubetaomerin I

ChEBI IDCHEBI:204770
ChEBI Name3'-O-demethylpreubetaomerin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H12O8
Net Charge0
Average Mass380.308
Monoisotopic Mass380.05322
SMILESO=C1C[C@@H](O)[C@]23Oc4ccc(O)c5c4[C@](Oc4cccc1c42)(O3)[C@@H]1O[C@@H]1C5=O
InChIInChI=1S/C20H12O8/c21-8-4-5-11-15-13(8)16(24)17-18(25-17)20(15)27-10-3-1-2-7-9(22)6-12(23)19(26-11,28-20)14(7)10/h1-5,12,17-18,21,23H,6H2/t12-,17-,18-,19-,20+/m1/s1
InChIKeyFAKYINCHLIYJDP-PSJANZKSSA-N
Species of MetaboliteComponentSourceComments
Microsphaeropsis (ncbitaxon:107453) - PubMed (11842326)
ChEBI Ontology
Outgoing Relation(s)
3'-O-demethylpreubetaomerin I (CHEBI:204770) is a tetralins (CHEBI:36786)
IUPAC Name 
(1S,2R,4S,12S,13R)-7,13-dihydroxy-3,11,21,22-tetraoxaheptacyclo[10.9.1.11,6.112,16.02,4.010,24.020,23]tetracosa-6,8,10(24),16(23),17,19-hexaene-5,15-dione
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8582827ChemSpider