Opened gamma-lactone ring of libertellenone M (CHEBI:212855)

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CHEBI:212855 - Opened gamma-lactone ring of libertellenone M

ChEBI ID	CHEBI:212855
ChEBI Name	Opened gamma-lactone ring of libertellenone M
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C20H24O5
Net Charge	0
Average Mass	344.407
Monoisotopic Mass	344.16237
SMILES	C=C[C@]1(C)C=C2C(=O)C(O)=C3[C@](C)(C(=O)O)CC=C[C@]3(C)[C@@]2(O)CC1
InChI	InChI=1S/C20H24O5/c1-5-17(2)9-10-20(25)12(11-17)13(21)14(22)15-18(3,16(23)24)7-6-8-19(15,20)4/h5-6,8,11,22,25H,1,7,9-10H2,2-4H3,(H,23,24)/t17-,18+,19-,20+/m0/s1
InChIKey	WIEULLALQDWNTC-ZGXWSNOMSA-N

Species of Metabolite	Component	Source	Comments
Emericellopsis fimetaria (ncbitaxon:327576)	-	PubMed (28805711)

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)
	Opened gamma-lactone ring of libertellenone M (CHEBI:212855) is a phenanthrenes (CHEBI:25961)

IUPAC Name
(1R,4aS,4bS,7R)-7-ethenyl-4b,10-dihydroxy-1,4a,7-trimethyl-9-oxo-5,6-dihydro-2H-phenanthrene-1-carboxylic acid

Manual Xrefs	Databases
64186235	ChemSpider