4-O-demethyl-11-deoxydoxorubicin (CHEBI:225086)

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CHEBI:225086 - 4-O-demethyl-11-deoxydoxorubicin

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ChEBI ID	CHEBI:225086
ChEBI Name	4-O-demethyl-11-deoxydoxorubicin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H27NO10
Net Charge	0
Average Mass	513.499
Monoisotopic Mass	513.16350
SMILES	C[C@H]1O[C@@H](O[C@@H]2C[C@](O)(C(=O)CO)Cc3cc4c(c(O)c32)C(=O)c2c(O)cccc2C4=O)C[C@@H](N)[C@H]1O
InChI	InChI=1S/C26H27NO10/c1-10-22(31)14(27)6-18(36-10)37-16-8-26(35,17(30)9-28)7-11-5-13-21(24(33)19(11)16)25(34)20-12(23(13)32)3-2-4-15(20)29/h2-5,10,14,16,18,22,28-29,31,33,35H,6-9,27H2,1H3/t10-,14-,16-,18+,22+,26+/m1/s1
InChIKey	ROILTUODAPUWLG-KAKOBGMRSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (6951826)

Roles Classification

Biological Role:

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology

Outgoing Relation(s)
	4-O-demethyl-11-deoxydoxorubicin (CHEBI:225086) is a anthracycline (CHEBI:48120)

IUPAC Name
(7R,9S)-7-[(2R,4R,5R,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-4,6,9-trihydroxy-9-(2-hydroxyacetyl)-8,10-dihydro-7H-tetracene-5,12-dione

Manual Xrefs	Databases
78443287	ChemSpider