CHEBI:218560 - 8-O-desmethylanthrotainin

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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-desmethylanthrotainin
ChEBI ID CHEBI:218560
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H15NO9
Net Charge 0
Average Mass 401.327
Monoisotopic Mass 401.07468
InChI InChI=1S/C19H15NO9/c20-17(27)13-10(23)5-18(28)4-7-1-6-2-8(21)3-9(22)11(6)14(24)12(7)15(25)19(18,29)16(13)26/h1-3,21-22,24,26,28-29H,4-5H2,(H2,20,27)/t18-,19+/m1/s1
InChIKey XZMHEWSQIGGCKG-MOPGFXCFSA-N
SMILES O=C1C2=C(O)C3=C(O)C=C(O)C=C3C=C2C[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 8-O-desmethylanthrotainin (CHEBI:218560) is a tetracyclines (CHEBI:26895)
IUPAC Name
(4aR,12aR)-1,4a,8,10,11,12a-hexahydroxy-3,12-dioxo-4,5-dihydrotetracene-2-carboxamide
Manual Xref Database
78442807 ChemSpider
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