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6′,7′‐dihydroxybergamottin

C21H24O6 372.4 g/mol
O H H O O O O O
Name 6′,7′‐dihydroxybergamottin
Alternative name 2,4-Dihydroxy-1,4-benzoxazin-3-one sulfate
Formula C21H24O6
Formula Weight 372.40 g/mol
Molecular Weight 372.40 g/mol
Monoisotopic Mass 372.157000 g/mol
InChI Key IXZUPBUEKFXTSD-MDWZMJQESA-N
IUPAC 4-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]furo[3,2-g]chromen-7-one
InChI InChI=1S/C21H24O6/c1-13(4-6-18(22)21(2,3)24)8-10-26-20-14-5-7-19(23)27-17(14)12-16-15(20)9-11-25-16/h5,7-9,11-12,18,22,24H,4,6,10H2,1-3H3/b13-8-
SMILES C\C(CCC(O)C(C)(C)O)=C\COC1=C2C=COC2=CC2=C1C=CC(=O)O2
Food Citrus, 
Food Source Grapefruit, 
Family Phenolic
Class Coumarin
Subclass Group Coumarins and derivatives
Subclass Furanocoumarin
Metabolite Coumarin derivative
CASNO 145414-76-2
HMDB HMDB0039066
PubChem 6440498
KEGG C04148
FooDB FDB018565
DrugBank DB01904
ChEBI 17884
BioCyc CPD-1097
METLIN 5221.0