EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:220149 - 2-acetoxy-2-epi-altenuene

ChEBI IDCHEBI:220149
ChEBI Name2-acetoxy-2-epi-altenuene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H18O7
Net Charge0
Average Mass334.324
Monoisotopic Mass334.10525
SMILESCOc1cc(O)c2c(c1)C1=C[C@@H](OC(C)=O)[C@@H](O)C[C@]1(C)OC2=O
InChIInChI=1S/C17H18O7/c1-8(18)23-14-6-11-10-4-9(22-3)5-12(19)15(10)16(21)24-17(11,2)7-13(14)20/h4-6,13-14,19-20H,7H2,1-3H3/t13-,14+,17-/m0/s1
InChIKeyKDFOBGDNUMYZQG-VBQJREDUSA-N
Species of MetaboliteComponentSourceComments
Alternariaspecies Samif01 (ncbitaxon:1378256) - PubMed (27388053)
ChEBI Ontology
Outgoing Relation(s)
2-acetoxy-2-epi-altenuene (CHEBI:220149) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
[(2R,3S,4aS)-3,7-dihydroxy-9-methoxy-4a-methyl-6-oxo-3,4-dihydro-2H-benzo[c]chromen-2-yl] acetate
Manual XrefsDatabases
78439545ChemSpider