EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:213945 - Nordihydroaltenuene A

ChEBI IDCHEBI:213945
ChEBI NameNordihydroaltenuene A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16O6
Net Charge0
Average Mass280.276
Monoisotopic Mass280.09469
SMILESCOc1cc(O)c2c(c1)[C@@H]1[C@@H](O)[C@@H](O)C[C@]1(C)OC2=O
InChIInChI=1S/C14H16O6/c1-14-5-9(16)12(17)11(14)7-3-6(19-2)4-8(15)10(7)13(18)20-14/h3-4,9,11-12,15-17H,5H2,1-2H3/t9-,11+,12-,14-/m0/s1
InChIKeyKSFWKZFVZVWWSN-TWJQMWNJSA-N
Species of MetaboliteComponentSourceComments
Alternaria (ncbitaxon:5598) - PubMed (30110969)
ChEBI Ontology
Outgoing Relation(s)
Nordihydroaltenuene A (CHEBI:213945) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(1R,2S,3aS,9bR)-1,2,6-trihydroxy-8-methoxy-3a-methyl-1,2,3,9b-tetrahydrocyclopenta[c]isochromen-5-one
Manual XrefsDatabases
71044382ChemSpider