CHEBI:207065 - Nidurufin

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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 Nidurufin
ChEBI ID CHEBI:207065
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H16O8
Net Charge 0
Average Mass 384.340
Monoisotopic Mass 384.08452
InChI InChI=1S/C20H16O8/c1-20-3-2-10(22)19(28-20)15-12(27-20)6-9-14(18(15)26)17(25)13-8(16(9)24)4-7(21)5-11(13)23/h4-6,10,19,21-23,26H,2-3H2,1H3/t10-,19-,20+/m0/s1
InChIKey JJXUKZWOMSARJK-UUADDVKTSA-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(O)C=C(O)C5
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing Nidurufin (CHEBI:207065) is a hydroxyanthraquinones (CHEBI:37485)
IUPAC Name
(1R,17S,20S)-3,7,9,20-tetrahydroxy-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
25933167 ChemSpider
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