4-O,3'-O-didemethyl mutactimycin (CHEBI:199048)

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CHEBI:199048 - 4-O,3'-O-didemethyl mutactimycin

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ChEBI ID	CHEBI:199048
ChEBI Name	4-O,3'-O-didemethyl mutactimycin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H28O11
Net Charge	0
Average Mass	516.499
Monoisotopic Mass	516.16316
SMILES	Cc1ccc2c(c1O)C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](C)(O)C[C@@H]3O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
InChI	InChI=1S/C26H28O11/c1-8-4-5-10-14(17(8)27)22(32)16-15(19(10)29)20(30)11-6-26(3,35)7-12(13(11)21(16)31)37-25-24(34)23(33)18(28)9(2)36-25/h4-5,9,12,18,23-25,27-28,30-31,33-35H,6-7H2,1-3H3/t9-,12-,18-,23+,24+,25-,26+/m0/s1
InChIKey	KFOKBTLLYXTWHL-OJPOHHCHSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (9766460)

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,3'-O-didemethyl mutactimycin (CHEBI:199048) is a anthracycline (CHEBI:48120)

IUPAC Name
(7S,9R)-4,6,9,11-tetrahydroxy-3,9-dimethyl-7-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-8,10-dihydro-7H-tetracene-5,12-dione

Manual Xrefs	Databases
8431467	ChemSpider