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CHEBI:203649 - Preubetaomerin E

ChEBI IDCHEBI:203649
ChEBI NamePreubetaomerin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H12O7
Net Charge0
Average Mass364.309
Monoisotopic Mass364.05830
SMILESO=C1c2c(O)ccc3c2[C@@]2(Oc4cccc5c4[C@](C=C[C@@H]5O)(O3)O2)[C@@H]2O[C@H]12
InChIInChI=1S/C20H12O7/c21-9-6-7-19-14-8(9)2-1-3-11(14)26-20(27-19)15-12(25-19)5-4-10(22)13(15)16(23)17-18(20)24-17/h1-7,9,17-18,21-22H/t9-,17+,18+,19+,20-/m0/s1
InChIKeyOBZXRUYSZXAANO-NDMITINESA-N
Species of MetaboliteComponentSourceComments
Preussia (ncbitaxon:265084) - DOI (10.1021/jo00014a007)
ChEBI Ontology
Outgoing Relation(s)
Preubetaomerin E (CHEBI:203649) is a tetralins (CHEBI:36786)
IUPAC Name 
(1S,2R,4S,12R,15S)-7,15-dihydroxy-3,11,21,22-tetraoxaheptacyclo[10.9.1.11,6.112,16.02,4.010,24.020,23]tetracosa-6,8,10(24),13,16(23),17,19-heptaen-5-one
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8559583ChemSpider