CHEBI:218553 - 5-hydroxyanthrotainin

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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 5-hydroxyanthrotainin
ChEBI ID CHEBI:218553
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H17NO10
Net Charge 0
Average Mass 431.353
Monoisotopic Mass 431.08525
InChI InChI=1S/C20H17NO10/c1-31-7-2-6-3-8-12(14(24)11(6)9(22)4-7)16(26)20(30)17(27)13(18(21)28)10(23)5-19(20,29)15(8)25/h2-4,15,22,24-25,27,29-30H,5H2,1H3,(H2,21,28)/t15-,19-,20-/m0/s1
InChIKey JENSOXBZLVHOFV-YSSFQJQWSA-N
SMILES O=C1C2=C(O)C3=C(O)C=C(OC)C=C3C=C2[C@H](O)[C@@]4([C@@]1(O)C(O)=C(C(=O)C4)C(=O)N)O
Metabolite of Species Details
Penicillium aethiopicum (NCBI:txid36650) See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via tetracyclines )
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ChEBI Ontology
Outgoing 5-hydroxyanthrotainin (CHEBI:218553) is a tetracyclines (CHEBI:26895)
IUPAC Name
(4aS,5S,12aS)-1,4a,5,10,11,12a-hexahydroxy-8-methoxy-3,12-dioxo-4,5-dihydrotetracene-2-carboxamide
Manual Xref Database
78442806 ChemSpider
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