EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:168880 - Mukurozidiol

ChEBI IDCHEBI:168880
ChEBI NameMukurozidiol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H18O7
Net Charge0
Average Mass334.324
Monoisotopic Mass334.10525
SMILESCOc1c2ccoc2c(OCC(O)C(C)(C)O)c2oc(=O)ccc12
InChIInChI=1S/C17H18O7/c1-17(2,20)11(18)8-23-16-14-10(6-7-22-14)13(21-3)9-4-5-12(19)24-15(9)16/h4-7,11,18,20H,8H2,1-3H3
InChIKeyPKRPFNXROFUNDE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Mukurozidiol (CHEBI:168880) is a psoralens (CHEBI:26369)
IUPAC Name 
9-(2,3-dihydroxy-3-methylbutoxy)-4-methoxyuro[3,2-g]chromen-7-one
Manual XrefsDatabases
HMDB0030651HMDB
535438ChemSpider