CHEBI:225091 - 4-O-demethyl-11-deoxydaunorubicin

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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 4-O-demethyl-11-deoxydaunorubicin
ChEBI ID CHEBI:225091
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H27NO9
Net Charge 0
Average Mass 497.500
Monoisotopic Mass 497.16858
InChI InChI=1S/C26H27NO9/c1-10-22(30)15(27)7-18(35-10)36-17-9-26(34,11(2)28)8-12-6-14-21(24(32)19(12)17)25(33)20-13(23(14)31)4-3-5-16(20)29/h3-6,10,15,17-18,22,29-30,32,34H,7-9,27H2,1-2H3/t10-,15-,17-,18+,22+,26+/m1/s1
InChIKey IVTIJSPMQMJSEQ-YZLIVNITSA-N
SMILES O=C1C2=C(O)C3=C(C[C@@](O)(C(=O)C)C[C@H]3O[C@@H]4O[C@@H]([C@H](O)[C@@H](C4)N)C)C=C2C(=O)C=5C1=C(O)C=CC5
Metabolite of Species Details
Streptomyces (NCBI:txid1883) 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 anthracycline )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4-O-demethyl-11-deoxydaunorubicin (CHEBI:225091) is a anthracycline (CHEBI:48120)
IUPAC Name
(7R,9S)-9-acetyl-7-[(2R,4R,5R,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-4,6,9-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Manual Xref Database
78443288 ChemSpider
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