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CHEBI:200184 - 8-O-methylnidurufin

ChEBI IDCHEBI:200184
ChEBI Name8-O-methylnidurufin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H18O8
Net Charge0
Average Mass398.367
Monoisotopic Mass398.10017
SMILESCOc1cc(O)cc2c1C(=O)c1c(cc3c(c1O)[C@H]1O[C@](C)(CC[C@@H]1O)O3)C2=O
InChIInChI=1S/C21H18O8/c1-21-4-3-11(23)20(29-21)16-13(28-21)7-10-15(19(16)26)18(25)14-9(17(10)24)5-8(22)6-12(14)27-2/h5-7,11,20,22-23,26H,3-4H2,1-2H3/t11-,20-,21+/m0/s1
InChIKeyRJWLVUKDQNSXEH-ZTQXTMOCSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies (ncbitaxon:5065) - DOI (10.1007/s10600-014-1037-2)
ChEBI Ontology
Outgoing Relation(s)
8-O-methylnidurufin (CHEBI:200184) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name 
(1R,17S,20S)-3,9,20-trihydroxy-7-methoxy-17-methyl-16,21-dioxapentacyclo[15.3.1.02,15.04,13.06,11]henicosa-2(15),3,6(11),7,9,13-hexaene-5,12-dione
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34982084ChemSpider