EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:222558 - Aspermicrone B

ChEBI IDCHEBI:222558
ChEBI NameAspermicrone B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H18O10
Net Charge0
Average Mass406.343
Monoisotopic Mass406.09000
SMILESCO[C@@H]1O[C@]2(OCc3c(C)c(O)c(O)c(O)c3C2=O)c2c(O)c(O)c(O)c(C)c21
InChIInChI=1S/C19H18O10/c1-5-7-4-28-19(17(26)9(7)13(22)15(24)11(5)20)10-8(18(27-3)29-19)6(2)12(21)16(25)14(10)23/h18,20-25H,4H2,1-3H3/t18-,19-/m1/s1
InChIKeyQMVOBCWDKWKDII-RTBURBONSA-N
Species of MetaboliteComponentSourceComments
Aspergillus micronesiensis (ncbitaxon:1507543) - PubMed (31337867)
ChEBI Ontology
Outgoing Relation(s)
Aspermicrone B (CHEBI:222558) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(1R,3R)-4,5,5',6,6',7'-hexahydroxy-1-methoxy-7,8'-dimethylspiro[1H-2-benzouran-3,3'-1H-isochromene]-4'-one
Manual XrefsDatabases
79300762ChemSpider