EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:206583 - Annulohypoxylomanol A

ChEBI IDCHEBI:206583
ChEBI NameAnnulohypoxylomanol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O5
Net Charge0
Average Mass240.255
Monoisotopic Mass240.09977
SMILESCOc1cc2c(c(O)c1OC)CO[C@H](C)[C@H]2O
InChIInChI=1S/C12H16O5/c1-6-10(13)7-4-9(15-2)12(16-3)11(14)8(7)5-17-6/h4,6,10,13-14H,5H2,1-3H3/t6-,10-/m1/s1
InChIKeyKMSMBLYGBFNLMU-LHLIQPBNSA-N
Species of MetaboliteComponentSourceComments
Annulohypoxylon (ncbitaxon:326606) - PubMed (28009172)
ChEBI Ontology
Outgoing Relation(s)
Annulohypoxylomanol A (CHEBI:206583) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3R,4S)-6,7-dimethoxy-3-methyl-3,4-dihydro-1H-isochromene-4,8-diol
Manual XrefsDatabases
76802650ChemSpider