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CHEBI:212837 - Libertellenone M

ChEBI IDCHEBI:212837
ChEBI NameLibertellenone M
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H22O4
Net Charge0
Average Mass326.392
Monoisotopic Mass326.15181
SMILESC=C[C@]1(C)C=C2C(=O)C3=C4[C@@](C)(CC=C[C@]4(C)[C@@]2(O)CC1)C(=O)O3
InChIInChI=1S/C20H22O4/c1-5-17(2)9-10-20(23)12(11-17)13(21)14-15-18(3,16(22)24-14)7-6-8-19(15,20)4/h5-6,8,11,23H,1,7,9-10H2,2-4H3/t17-,18+,19-,20+/m0/s1
InChIKeyIMDSZABVDRYLLE-ZGXWSNOMSA-N
Species of MetaboliteComponentSourceComments
Emericellopsis fimetaria (ncbitaxon:327576) - PubMed (28805711)
Eutypellaspecies D-1 (ncbitaxon:1689458) - PubMed (29168349)
ChEBI Ontology
Outgoing Relation(s)
Libertellenone M (CHEBI:212837) is a naphthofuran (CHEBI:39270)
IUPAC Names 
(1S,2S,5R,12R)-5-ethenyl-2-hydroxy-1,5,12-trimethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-6,9(16),14-triene-8,11-dione
(4aS,4bS,7R)-7-ethenyl-4b,10-dihydroxy-1,1,4a,7-tetramethyl-5,6-dihydrophenanthrene-2,9-dione
Manual XrefsDatabases
64186234ChemSpider