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CHEBI:206867 - Antrodioxolanone

ChEBI IDCHEBI:206867
ChEBI NameAntrodioxolanone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H32O9
Net Charge0
Average Mass524.566
Monoisotopic Mass524.20463
SMILESCOc1cc(OC)c(OC)c(C)c1C#C[C@@]1(C)OC(=O)O[C@@]1(C)C#Cc1c(OC)cc(OC)c(OC)c1C
InChIInChI=1S/C29H32O9/c1-17-19(21(31-5)15-23(33-7)25(17)35-9)11-13-28(3)29(4,38-27(30)37-28)14-12-20-18(2)26(36-10)24(34-8)16-22(20)32-6/h15-16H,1-10H3/t28-,29+
InChIKeyNJECTZSLZHQUFD-ISILISOKSA-N
Species of MetaboliteComponentSourceComments
Taiwanofungus camphoratus (ncbitaxon:2696576) - PubMed (17559265)
ChEBI Ontology
Outgoing Relation(s)
Antrodioxolanone (CHEBI:206867) is a methoxybenzenes (CHEBI:51683)
IUPAC Name 
(4R,5S)-4,5-dimethyl-4,5-bis[2-(3,4,6-trimethoxy-2-methylphenyl)ethynyl]-1,3-dioxolan-2-one
Manual XrefsDatabases
20568907ChemSpider