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CHEBI:215164 - Preubetaomerin D

ChEBI IDCHEBI:215164
ChEBI NamePreubetaomerin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H12O7
Net Charge0
Average Mass364.309
Monoisotopic Mass364.05830
SMILESO=C1C=C[C@]23Oc4ccc(O)c5c4[C@](Oc4cccc1c42)(O3)[C@@H]1O[C@@H]1[C@@H]5O
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/h1-7,16-18,22-23H/t16-,17-,18-,19-,20+/m1/s1
InChIKeyPEMPTCPFSPBRLS-WAPOTWQKSA-N
Species of MetaboliteComponentSourceComments
Preussia (ncbitaxon:265084) - DOI (10.1021/jo00014a007)
ChEBI Ontology
Outgoing Relation(s)
Preubetaomerin D (CHEBI:215164) is a tetralins (CHEBI:36786)
IUPAC Name 
(1S,2R,4R,5R,12R)-5,7-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-15-one
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8649347ChemSpider