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CHEBI:175833 - Diosbulbin A

ChEBI IDCHEBI:175833
ChEBI NameDiosbulbin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H24O7
Net Charge0
Average Mass376.405
Monoisotopic Mass376.15220
SMILES[H][C@@]12C[C@@H](O)C[C@@H](C(=O)OC)[C@@]1([H])[C@]1([H])CC3(O[C@@H](c4ccoc4)C[C@]32C)C(=O)O1
InChIInChI=1S/C20H24O7/c1-19-7-14(10-3-4-25-9-10)27-20(19)8-15(26-18(20)23)16-12(17(22)24-2)5-11(21)6-13(16)19/h3-4,9,11-16,21H,5-8H2,1-2H3/t11-,12+,13+,14+,15-,16+,19-,20?/m0/s1
InChIKeyOPNWTAMLIMDKEY-QGILWXNYSA-N
ChEBI Ontology
Outgoing Relation(s)
Diosbulbin A (CHEBI:175833) is a naphthofuran (CHEBI:39270)
IUPAC Name 
methyl (3R,5S,6R,8R,10R,11S,12S)-3-(uran-3-yl)-8-hydroxy-5-methyl-14-oxo-2,13-dioxatetracyclo[10.2.1.01,5.06,11]pentadecane-10-carboxylate
Manual XrefsDatabases
154233ChemSpider
Registry NumbersSources
CAS:20086-05-9ChemIDplus