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CHEBI:169410 - 3,4,5-trihydroxy-6-({2-[6-(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:169410
ChEBI Name3,4,5-trihydroxy-6-({2-[6-(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
FormulaC25H30O10
Net Charge0
Average Mass490.505
Monoisotopic Mass490.18390
SMILESC=CC(C)(C)c1cc2cc3c(cc2oc1=O)OC(C(C)(C)OC1OC(C(=O)O)C(O)C(O)C1O)C3
InChIInChI=1S/C25H30O10/c1-6-24(2,3)13-8-11-7-12-9-16(32-14(12)10-15(11)33-22(13)31)25(4,5)35-23-19(28)17(26)18(27)20(34-23)21(29)30/h6-8,10,16-20,23,26-28H,1,9H2,2-5H3,(H,29,30)
InChIKeyAWTWVXDDGQAEDN-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)
3,4,5-trihydroxy-6-({2-[6-(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:169410) is a psoralens (CHEBI:26369)
IUPAC Name 
3,4,5-trihydroxy-6-[2-[6-(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
HMDB0130297HMDB