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CHEBI:220406 - Glaucanic acid

ChEBI IDCHEBI:220406
ChEBI NameGlaucanic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H20O6
Net Charge0
Average Mass332.352
Monoisotopic Mass332.12599
SMILESCC[C@H]1CC2=C(C[C@@]3(C)C(=O)OC(=O)/C3=C/[C@H]1CC)C(=O)OC2=O
InChIInChI=1S/C18H20O6/c1-4-9-6-11-12(15(20)23-14(11)19)8-18(3)13(7-10(9)5-2)16(21)24-17(18)22/h7,9-10H,4-6,8H2,1-3H3/b13-7-/t9-,10+,18+/m0/s1
InChIKeyRUGDWJCVKKJESL-UXTAJBLDSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1039/JR9650001779)
ChEBI Ontology
Outgoing Relation(s)
Glaucanic acid (CHEBI:220406) has functional parent tetracarboxylic acid (CHEBI:35742)
Glaucanic acid (CHEBI:220406) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(3R,7E,9S,10S)-9,10-diethyl-3-methyl-5,14-dioxatricyclo[10.3.0.03,7]pentadeca-1(12),7-diene-4,6,13,15-tetrone
Manual XrefsDatabases
74169804ChemSpider