CHEBI:200184 - 8-O-methylnidurufin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 8-O-methylnidurufin
ChEBI ID CHEBI:200184
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C21H18O8
Net Charge 0
Average Mass 398.367
Monoisotopic Mass 398.10017
InChI InChI=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
InChIKey RJWLVUKDQNSXEH-ZTQXTMOCSA-N
SMILES O=C1C2=C(O)C3=C(O[C@]4(CC[C@@H]([C@@H]3O4)O)C)C=C2C(=O)C=5C1=C(OC)C=C(O)C5
Metabolite of Species Details
Aspergillusspecies (NCBI:txid5065) See: DOI
ChEBI Ontology
Outgoing 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
Manual Xref Database
34982084 ChemSpider
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