K4610422 (CHEBI:223077)

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CHEBI:223077 - K4610422

ChEBI ID	CHEBI:223077
ChEBI Name	K4610422
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C19H26O2
Net Charge	0
Average Mass	286.415
Monoisotopic Mass	286.19328
SMILES	C=C[C@@]1(C)C=C2CC[C@H]3C(CO)=CC(=O)C[C@]3(C)[C@H]2CC1
InChI	InChI=1S/C19H26O2/c1-4-18(2)8-7-17-13(10-18)5-6-16-14(12-20)9-15(21)11-19(16,17)3/h4,9-10,16-17,20H,1,5-8,11-12H2,2-3H3/t16-,17-,18+,19-/m0/s1
InChIKey	UAPFLEBLWXTKPA-OKYOBFRVSA-N

Species of Metabolite	Component	Source	Comments
Actinomaduraspecies (ncbitaxon:1989)	-	PubMed (31481763)

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)
	K4610422 (CHEBI:223077) is a phenanthrenes (CHEBI:25961)

IUPAC Name
(4aR,4bS,7S,10aR)-7-ethenyl-1-(hydroxymethyl)-4a,7-dimethyl-4b,5,6,9,10,10a-hexahydro-4H-phenanthren-3-one

Manual Xrefs	Databases
88297809	ChemSpider