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CHEBI:210259 - Divaricatine A

ChEBI IDCHEBI:210259
ChEBI NameDivaricatine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H18O3
Net Charge0
Average Mass246.306
Monoisotopic Mass246.12559
SMILESCc1c2c(cc3c1C(=O)[C@@H](O)OC3)CC(C)(C)C2
InChIInChI=1S/C15H18O3/c1-8-11-6-15(2,3)5-9(11)4-10-7-18-14(17)13(16)12(8)10/h4,14,17H,5-7H2,1-3H3/t14-/m0/s1
InChIKeyRNAVBXVJELHVEM-AWEZNQCLSA-N
Species of MetaboliteComponentSourceComments
Clavicorona (ncbitaxon:48020) - DOI (10.1016/s0040-4020(03)00738-5)
ChEBI Ontology
Outgoing Relation(s)
Divaricatine A (CHEBI:210259) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
3-hydroxy-5,7,7-trimethyl-6,8-dihydro-1H-cyclopenta[g]isochromen-4-one
Manual XrefsDatabases
8507615ChemSpider