EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:216810 - Aspyranochromenone B

ChEBI IDCHEBI:216810
ChEBI NameAspyranochromenone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H16O6
Net Charge0
Average Mass316.309
Monoisotopic Mass316.09469
SMILESCc1c(O)cc2oc(=O)c(C3=CC(=O)C[C@@H](C)O3)cc2c1CO
InChIInChI=1S/C17H16O6/c1-8-3-10(19)4-15(22-8)12-5-11-13(7-18)9(2)14(20)6-16(11)23-17(12)21/h4-6,8,18,20H,3,7H2,1-2H3/t8-/m1/s1
InChIKeyPTHVOVGQHPNRST-MRVPVSSYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (33716326)
ChEBI Ontology
Outgoing Relation(s)
Aspyranochromenone B (CHEBI:216810) is a hydroxycoumarin (CHEBI:37912)
IUPAC Name 
7-hydroxy-5-(hydroxymethyl)-6-methyl-3-[(2R)-2-methyl-4-oxo-2,3-dihydropyran-6-yl]chromen-2-one