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CHEBI:190858 - 3,4,5-trihydroxy-6-({2-[6-(1-hydroxy-2-methylbut-3-en-2-yl)-7-oxo-2H,3H,7H-furo[3,2-g]chromen-2-yl]propan-2-yl}oxy)oxane-2-carboxylic acid

ChEBI IDCHEBI:190858
ChEBI Name3,4,5-trihydroxy-6-({2-[6-(1-hydroxy-2-methylbut-3-en-2-yl)-7-oxo-2H,3H,7H-furo[3,2-g]chromen-2-yl]propan-2-yl}oxy)oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H30O11
Net Charge0
Average Mass506.504
Monoisotopic Mass506.17881
SMILESC=CC(C)(CO)c1cc2cc3c(cc2oc1=O)OC(C(C)(C)OC1OC(C(=O)O)C(O)C(O)C1O)C3
InChIInChI=1S/C25H30O11/c1-5-25(4,10-26)13-7-11-6-12-8-16(33-14(12)9-15(11)34-22(13)32)24(2,3)36-23-19(29)17(27)18(28)20(35-23)21(30)31/h5-7,9,16-20,23,26-29H,1,8,10H2,2-4H3,(H,30,31)
InChIKeyDSGFNOQDOGJVGH-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-[6-(1-hydroxy-2-methylbut-3-en-2-yl)-7-oxo-2H,3H,7H-furo[3,2-g]chromen-2-yl]propan-2-yl}oxy)oxane-2-carboxylic acid (CHEBI:190858) is a psoralens (CHEBI:26369)
IUPAC Name 
3,4,5-trihydroxy-6-[2-[6-(1-hydroxy-2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydrouro[3,2-g]chromen-2-yl]propan-2-yloxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0130308HMDB