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CHEBI:204437 - Lycopodiellactone

ChEBI IDCHEBI:204437
ChEBI NameLycopodiellactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H16O7
Net Charge0
Average Mass344.319
Monoisotopic Mass344.08960
SMILESC=C1OC(=O)c2c(O)cc(O)c(Cc3c(O)cc(C)oc3=O)c2[C@@H]1C
InChIInChI=1S/C18H16O7/c1-7-4-12(19)11(17(22)24-7)5-10-13(20)6-14(21)16-15(10)8(2)9(3)25-18(16)23/h4,6,8,19-21H,3,5H2,1-2H3/t8-/m1/s1
InChIKeyJVDXMGCGLWEXBZ-MRVPVSSYSA-N
Species of MetaboliteComponentSourceComments
Paraphaeosphaeria neglecta (ncbitaxon:1460665) - DOI (10.1016/j.tetlet.2015.02.076)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Lycopodiellactone (CHEBI:204437) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
(4S)-6,8-dihydroxy-5-[(4-hydroxy-6-methyl-2-oxopyran-3-yl)methyl]-4-methyl-3-methylidene-4H-isochromen-1-one
Manual XrefsDatabases
34564978ChemSpider