Bromosphaerone (CHEBI:209070)

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CHEBI:209070 - Bromosphaerone

ChEBI ID	CHEBI:209070
ChEBI Name	Bromosphaerone
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H30Br2O3
Net Charge	0
Average Mass	478.265
Monoisotopic Mass	476.05617
SMILES	CC(C)[C@@H]1C=CC(=O)[C@H]2[C@@H]3[C@](C)(O)[C@@H](O)C[C@H](Br)[C@@]3(C)CC[C@]12CBr
InChI	InChI=1S/C20H30Br2O3/c1-11(2)12-5-6-13(23)16-17-18(3,7-8-20(12,16)10-21)14(22)9-15(24)19(17,4)25/h5-6,11-12,14-17,24-25H,7-10H2,1-4H3/t12-,14-,15-,16-,17-,18+,19+,20-/m0/s1
InChIKey	JGVFMEFXYFJJSK-KTPFSLFISA-N

Species of Metabolite	Component	Source	Comments
Staphylococcus aureus (ncbitaxon:1280)	-	PubMed (11520219)

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)
	Bromosphaerone (CHEBI:209070) is a phenanthrenes (CHEBI:25961)

IUPAC Name
(1R,4aS,4bS,5S,6S,8S,8aS,10aS)-8-bromo-10a-(bromomethyl)-5,6-dihydroxy-5,8a-dimethyl-1-propan-2-yl-1,4a,4b,6,7,8,9,10-octahydrophenanthren-4-one

Manual Xrefs	Databases
9298766	ChemSpider