Micromonomycin (CHEBI:199182)

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CHEBI:199182 - Micromonomycin

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ChEBI ID	CHEBI:199182
ChEBI Name	Micromonomycin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C29H30O11
Net Charge	0
Average Mass	554.548
Monoisotopic Mass	554.17881
SMILES	COC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](O[C@H]2CC[C@@](O)(C(C)=O)[C@H](C)O2)C[C@@]1(C)O)C(=O)c1c(O)cccc1C3=O
InChI	InChI=1S/C29H30O11/c1-12(30)29(37)9-8-19(39-13(29)2)40-18-11-28(3,36)23(27(35)38-4)15-10-16-22(26(34)21(15)18)25(33)20-14(24(16)32)6-5-7-17(20)31/h5-7,10,13,18-19,23,31,34,36-37H,8-9,11H2,1-4H3/t13-,18-,19-,23-,28+,29+/m0/s1
InChIKey	YBDXTULXJZVGFH-HUQDIQLKSA-N

Species of Metabolite	Component	Source	Comments
Micromonosporaspecies (ncbitaxon:1876)	-	PubMed (15580962)

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)
	Micromonomycin (CHEBI:199182) is a anthracycline (CHEBI:48120)

IUPAC Name
methyl (1R,2R,4S)-4-[(2R,5S,6S)-5-acetyl-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,7-trihydroxy-2-methyl-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate

Manual Xrefs	Databases
8251883	ChemSpider