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CHEBI:190773 - 3,4,5-trihydroxy-6-{2-hydroxy-2-[6-(2-methylbut-3-en-2-yl)-7-oxo-2H,3H,7H-furo[3,2-g]chromen-2-yl]propoxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:190773
ChEBI Name3,4,5-trihydroxy-6-{2-hydroxy-2-[6-(2-methylbut-3-en-2-yl)-7-oxo-2H,3H,7H-furo[3,2-g]chromen-2-yl]propoxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H30O11
Net Charge0
Average Mass506.504
Monoisotopic Mass506.17881
SMILESC=CC(C)(C)c1cc2cc3c(cc2oc1=O)OC(C(C)(O)COC1OC(C(=O)O)C(O)C(O)C1O)C3
InChIInChI=1S/C25H30O11/c1-5-24(2,3)13-7-11-6-12-8-16(34-14(12)9-15(11)35-22(13)31)25(4,32)10-33-23-19(28)17(26)18(27)20(36-23)21(29)30/h5-7,9,16-20,23,26-28,32H,1,8,10H2,2-4H3,(H,29,30)
InChIKeyPLANEBNXWISQBD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-{2-hydroxy-2-[6-(2-methylbut-3-en-2-yl)-7-oxo-2H,3H,7H-furo[3,2-g]chromen-2-yl]propoxy}oxane-2-carboxylic acid (CHEBI:190773) is a psoralens (CHEBI:26369)
IUPAC Name 
3,4,5-trihydroxy-6-[2-hydroxy-2-[6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrouro[3,2-g]chromen-2-yl]propoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0130310HMDB