12-deoxo-12-hydroxy-8-O-methyltetrangomycin (CHEBI:205292)

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CHEBI:205292 - 12-deoxo-12-hydroxy-8-O-methyltetrangomycin

ChEBI ID	CHEBI:205292
ChEBI Name	12-deoxo-12-hydroxy-8-O-methyltetrangomycin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H18O5
Net Charge	0
Average Mass	338.359
Monoisotopic Mass	338.11542
SMILES	COc1cccc2c1C(=O)c1ccc3c(c1C2O)C(=O)C[C@](C)(O)C3
InChI	InChI=1S/C20H18O5/c1-20(24)8-10-6-7-12-17(15(10)13(21)9-20)19(23)11-4-3-5-14(25-2)16(11)18(12)22/h3-7,19,23-24H,8-9H2,1-2H3/t19?,20-/m1/s1
InChIKey	YRKOFHPWOUTOGA-GFOWMXPYSA-N

Species of Metabolite	Component	Source	Comments
Streptomycesspecies CB01913 (ncbitaxon:1712655)	-	PubMed (26335269)

Roles Classification

Biological Role:

xenobiotic A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.

ChEBI Ontology

Outgoing Relation(s)
	12-deoxo-12-hydroxy-8-O-methyltetrangomycin (CHEBI:205292) is a phenanthrol (CHEBI:25962)

IUPAC Name
(3R)-3,12-dihydroxy-8-methoxy-3-methyl-4,12-dihydro-2H-benzo[a]anthracene-1,7-dione

Manual Xrefs	Databases
58914271	ChemSpider