(+)-murayaquinone B (CHEBI:226157)

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:226157 - (+)-murayaquinone B

ChEBI ID	CHEBI:226157
ChEBI Name	(+)-murayaquinone B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H20O6
Net Charge	0
Average Mass	428.440
Monoisotopic Mass	428.12599
SMILES	CCCC(=O)c1cc2c(c(O)c1C)[C@]1(OC(=O)c3ccccc31)C(=O)c1c(O)cccc1-2
InChI	InChI=1S/C26H20O6/c1-3-7-19(27)16-12-17-14-9-6-11-20(28)21(14)24(30)26(22(17)23(29)13(16)2)18-10-5-4-8-15(18)25(31)32-26/h4-6,8-12,28-29H,3,7H2,1-2H3/t26-/m0/s1
InChIKey	NIEMWTQGQMRYCB-SANMLTNESA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	DOI (10.1016/j.tetlet.2019.05.048)

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)
	(+)-murayaquinone B (CHEBI:226157) is a phenanthrenes (CHEBI:25961)

IUPAC Name
(3S)-3'-butanoyl-1',8'-dihydroxy-2'-methylspiro[2-benzouran-3,10'-phenanthrene]-1,9'-dione